1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide

C17H16N4O — CID 136522811

IUPAC1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-21-11-8-16(20-21)17(22)19-15-4-2-13(3-5-15)12-14-6-9-18-10-7-14/h2-11H,12H2,1H3,(H,19,22)
InChIKeyARWSPNUPSJOLKV-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.66
Rot. Bonds4

About 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide

1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 136522811) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
PubChem CID136522811
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)n1
InChIInChI=1S/C17H16N4O/c1-21-11-8-16(20-21)17(22)19-15-4-2-13(3-5-15)12-14-6-9-18-10-7-14/h2-11H,12H2,1H3,(H,19,22)
InChIKeyARWSPNUPSJOLKV-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19501958
N-[4-(cyanomethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 113230498
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
CID 136539853
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 103121322
1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
CID 169248379

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide (CID 136522811) is 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)n1.
What is the InChIKey of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is ARWSPNUPSJOLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-11-8-16(20-21)17(22)19-15-4-2-13(3-5-15)12-14-6-9-18-10-7-14/h2-11H,12H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136522811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).