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

C23H19N7O — CID 171540550

IUPACN-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccncc3)cc2CNC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H19N7O/c1-16-3-5-18(6-4-16)30-19(13-21(28-30)17-7-10-24-11-8-17)14-26-23(31)20-15-27-29-12-2-9-25-22(20)29/h2-13,15H,14H2,1H3,(H,26,31)
InChIKeyBANVHGYWKJBQRZ-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.22
Rot. Bonds5

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

N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171540550) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171540550
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3ccncc3)cc2CNC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C23H19N7O/c1-16-3-5-18(6-4-16)30-19(13-21(28-30)17-7-10-24-11-8-17)14-26-23(31)20-15-27-29-12-2-9-25-22(20)29/h2-13,15H,14H2,1H3,(H,26,31)
InChIKeyBANVHGYWKJBQRZ-UHFFFAOYSA-N
XLogP3.22
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-methoxy-4-methylphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90275543
N-[1-(4-methylphenyl)-3-[1-(pyrimidin-5-ylmethyl)azetidin-3-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90272238
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95275467
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
CID 159169356
CID 159169356
4-(3,5-dimethylpyrazol-1-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)benzamide
CID 70706606
N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556798
N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554755
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136535072
N-[3-[1-(2-aminophenyl)sulfanylpiperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171540550) is N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(-c3ccncc3)cc2CNC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BANVHGYWKJBQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-16-3-5-18(6-4-16)30-19(13-21(28-30)17-7-10-24-11-8-17)14-26-23(31)20-15-27-29-12-2-9-25-22(20)29/h2-13,15H,14H2,1H3,(H,26,31).
What are the key properties of N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171540550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).