5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H11Cl2N7O — CID 45375833

IUPAC5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3Cl)c2n1
InChIInChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)
InChIKeyURVFJVXEAYRVCV-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.26
Rot. Bonds3

About 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 45375833) has the molecular formula C16H11Cl2N7O and a molecular weight of 388.22 g/mol. Its IUPAC name is 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID45375833
Molecular FormulaC16H11Cl2N7O
Molecular Weight388.22 g/mol
Exact Mass387.04
IUPAC Name5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3Cl)c2n1
InChIInChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)
InChIKeyURVFJVXEAYRVCV-UHFFFAOYSA-N
XLogP3.26
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 45375833) is 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1ccn2ncc(C(=O)Nc3cn[nH]c3-c3cc(Cl)ccc3Cl)c2n1.
What is the InChIKey of 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is URVFJVXEAYRVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26).
What are the key properties of 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(2,5-dichlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 45375833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).