5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C22H21N7O — CID 42452521

IUPAC5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCc2ccncc2)cnn1-c1nccc(-c2cccnc2)n1
InChIInChI=1S/C22H21N7O/c1-16-19(21(30)25-10-2-4-17-6-11-23-12-7-17)15-27-29(16)22-26-13-8-20(28-22)18-5-3-9-24-14-18/h3,5-9,11-15H,2,4,10H2,1H3,(H,25,30)
InChIKeyNTROGUNHWOINFY-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.79
Rot. Bonds7

About 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 42452521) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID42452521
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCc2ccncc2)cnn1-c1nccc(-c2cccnc2)n1
InChIInChI=1S/C22H21N7O/c1-16-19(21(30)25-10-2-4-17-6-11-23-12-7-17)15-27-29(16)22-26-13-8-20(28-22)18-5-3-9-24-14-18/h3,5-9,11-15H,2,4,10H2,1H3,(H,25,30)
InChIKeyNTROGUNHWOINFY-UHFFFAOYSA-N
XLogP2.79
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 26320964
5-cyclopropyl-N-(3-pyridin-4-ylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 25295869
N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 26348680
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42166080
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42172187
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 118756483
1-(2-fluorophenyl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39561723
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-N-[2-(pyridin-3-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 67959049
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 42452521) is 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCCc2ccncc2)cnn1-c1nccc(-c2cccnc2)n1.
What is the InChIKey of 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is NTROGUNHWOINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-16-19(21(30)25-10-2-4-17-6-11-23-12-7-17)15-27-29(16)22-26-13-8-20(28-22)18-5-3-9-24-14-18/h3,5-9,11-15H,2,4,10H2,1H3,(H,25,30).
What are the key properties of 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42452521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).