4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

C13H15ClN4O — CID 14771156

IUPAC4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2cccnc2)c1Cl
InChIInChI=1S/C13H15ClN4O/c1-3-10-11(14)12(18(2)17-10)13(19)16-8-9-5-4-6-15-7-9/h4-7H,3,8H2,1-2H3,(H,16,19)
InChIKeyIFFCKPORUYTBIV-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.96
Rot. Bonds4

About 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 14771156) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID14771156
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2cccnc2)c1Cl
InChIInChI=1S/C13H15ClN4O/c1-3-10-11(14)12(18(2)17-10)13(19)16-8-9-5-4-6-15-7-9/h4-7H,3,8H2,1-2H3,(H,16,19)
InChIKeyIFFCKPORUYTBIV-UHFFFAOYSA-N
XLogP1.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (CID 14771156) is 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2cccnc2)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is IFFCKPORUYTBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-3-10-11(14)12(18(2)17-10)13(19)16-8-9-5-4-6-15-7-9/h4-7H,3,8H2,1-2H3,(H,16,19).
What are the key properties of 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 14771156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).