benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine

C67H63BN22O8Pt — CID 160650510

IUPACbenzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine
SMILESCC1(C)OB(c2ccnn2C(=O)OCc2ccccc2)OC1(C)C.O=C(OCc1ccccc1)n1cccn1.O=C(OCc1ccccc1)n1nccc1-c1ncccn1.[Pt+2].c1cn[nH]c1.c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[nH]2)nc1
InChIInChI=1S/C17H21BN2O4.C15H12N4O2.C11H10N2O2.C7H6N4.2C7H5N4.C3H4N2.Pt/c1-16(2)17(3,4)24-18(23-16)14-10-11-19-20(14)15(21)22-12-13-8-6-5-7-9-13;20-15(21-11-12-5-2-1-3-6-12)19-13(7-10-18-19)14-16-8-4-9-17-14;14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10;3*1-3-8-7(9-4-1)6-2-5-10-11-6;1-2-4-5-3-1;/h5-11H,12H2,1-4H3;1-10H,11H2;1-8H,9H2;1-5H,(H,10,11);2*1-5H;1-3H,(H,4,5);/q;;;;2*-1;;+2
InChIKeyRKIVVUJSSBMRAT-UHFFFAOYSA-N
MW1510.28 g/mol
LogP9.23
Rot. Bonds11

About benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine

benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine (PubChem CID 160650510) has the molecular formula C67H63BN22O8Pt and a molecular weight of 1510.28 g/mol. Its IUPAC name is benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine.

Molecular Properties

Compound Namebenzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine
PubChem CID160650510
Molecular FormulaC67H63BN22O8Pt
Molecular Weight1510.28 g/mol
Exact Mass1509.49
IUPAC Namebenzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine
SMILESCC1(C)OB(c2ccnn2C(=O)OCc2ccccc2)OC1(C)C.O=C(OCc1ccccc1)n1cccn1.O=C(OCc1ccccc1)n1nccc1-c1ncccn1.[Pt+2].c1cn[nH]c1.c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[nH]2)nc1
InChIInChI=1S/C17H21BN2O4.C15H12N4O2.C11H10N2O2.C7H6N4.2C7H5N4.C3H4N2.Pt/c1-16(2)17(3,4)24-18(23-16)14-10-11-19-20(14)15(21)22-12-13-8-6-5-7-9-13;20-15(21-11-12-5-2-1-3-6-12)19-13(7-10-18-19)14-16-8-4-9-17-14;14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10;3*1-3-8-7(9-4-1)6-2-5-10-11-6;1-2-4-5-3-1;/h5-11H,12H2,1-4H3;1-10H,11H2;1-8H,9H2;1-5H,(H,10,11);2*1-5H;1-3H,(H,4,5);/q;;;;2*-1;;+2
InChIKeyRKIVVUJSSBMRAT-UHFFFAOYSA-N
XLogP9.23
TPSA365.28 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.28
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine with MolForge

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Related Compounds

benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-4-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1H-pyrazole;4-(1H-pyrazol-5-yl)pyrimidine
CID 157312506
Benzyl 3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-4-(3,3-dimethylbutyl)piperazine-1-carboxylate;benzyl 3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 158040050
benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
CID 158096824
Benzyl 4-acetyl-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate;benzyl 3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxylate
CID 161641432

Frequently Asked Questions

What is the IUPAC name of benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine?
The IUPAC name of benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine (CID 160650510) is benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine.
What is the SMILES notation for benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine?
The canonical SMILES for benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine is CC1(C)OB(c2ccnn2C(=O)OCc2ccccc2)OC1(C)C.O=C(OCc1ccccc1)n1cccn1.O=C(OCc1ccccc1)n1nccc1-c1ncccn1.[Pt+2].c1cn[nH]c1.c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[n-]2)nc1.c1cnc(-c2ccn[nH]2)nc1.
What is the InChIKey of benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine?
The InChIKey is RKIVVUJSSBMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BN2O4.C15H12N4O2.C11H10N2O2.C7H6N4.2C7H5N4.C3H4N2.Pt/c1-16(2)17(3,4)24-18(23-16)14-10-11-19-20(14)15(21)22-12-13-8-6-5-7-9-13;20-15(21-11-12-5-2-1-3-6-12)19-13(7-10-18-19)14-16-8-4-9-17-14;14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10;3*1-3-8-7(9-4-1)6-2-5-10-11-6;1-2-4-5-3-1;/h5-11H,12H2,1-4H3;1-10H,11H2;1-8H,9H2;1-5H,(H,10,11);2*1-5H;1-3H,(H,4,5);/q;;;;2*-1;;+2.
What are the key properties of benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine?
benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine has a molecular weight of 1510.28 g/mol, XLogP of 9.23, 11 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyrazole-1-carboxylate;benzyl 5-pyrimidin-2-ylpyrazole-1-carboxylate;benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;platinum(2+);1H-pyrazole;bis(2-pyrazol-2-id-3-ylpyrimidine);2-(1H-pyrazol-5-yl)pyrimidine is sourced from PubChem (CID 160650510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).