1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

C13H16N4O — CID 35335541

IUPAC1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cccnc1
InChIInChI=1S/C13H16N4O/c1-9-12(10(2)17(3)16-9)13(18)15-8-11-5-4-6-14-7-11/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyPSOITMQYBRKTFA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.36
Rot. Bonds3

About 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 35335541) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID35335541
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1cccnc1
InChIInChI=1S/C13H16N4O/c1-9-12(10(2)17(3)16-9)13(18)15-8-11-5-4-6-14-7-11/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyPSOITMQYBRKTFA-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 40636787
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-carboxamide
CID 19281603
tert-butyl N-(pyridin-3-ylmethyl)-N-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propyl]carbamate
CID 55993050
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
1-(4-chlorophenyl)-3-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818370
1-methyl-3-(pyridin-3-ylmethylcarbamoyl)pyrazole-4-carboxylic acid
CID 25248015
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide (CID 35335541) is 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCc1cccnc1.
What is the InChIKey of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is PSOITMQYBRKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-12(10(2)17(3)16-9)13(18)15-8-11-5-4-6-14-7-11/h4-7H,8H2,1-3H3,(H,15,18).
What are the key properties of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 35335541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).