N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H18N6O — CID 122180370

IUPACN-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H18N6O/c1-16-8-10-18(11-9-16)29-21(14-20(27-29)17-6-3-2-4-7-17)26-23(30)19-15-25-28-13-5-12-24-22(19)28/h2-15H,1H3,(H,26,30)
InChIKeyJLRKEKVOGMOTDY-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.14
Rot. Bonds4

About N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122180370) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122180370
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC NameN-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H18N6O/c1-16-8-10-18(11-9-16)29-21(14-20(27-29)17-6-3-2-4-7-17)26-23(30)19-15-25-28-13-5-12-24-22(19)28/h2-15H,1H3,(H,26,30)
InChIKeyJLRKEKVOGMOTDY-UHFFFAOYSA-N
XLogP4.14
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122180370) is N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JLRKEKVOGMOTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-16-8-10-18(11-9-16)29-21(14-20(27-29)17-6-3-2-4-7-17)26-23(30)19-15-25-28-13-5-12-24-22(19)28/h2-15H,1H3,(H,26,30).
What are the key properties of N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122180370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).