4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide

C14H17ClN4O — CID 131908447

IUPAC4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2nn(C)c(C)c2Cl)cn1
InChIInChI=1S/C14H17ClN4O/c1-8-5-6-11(7-16-8)9(2)17-14(20)13-12(15)10(3)19(4)18-13/h5-7,9H,1-4H3,(H,17,20)
InChIKeyPYJWLNDLWGSNIA-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.58
Rot. Bonds3

About 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide (PubChem CID 131908447) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide
PubChem CID131908447
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2nn(C)c(C)c2Cl)cn1
InChIInChI=1S/C14H17ClN4O/c1-8-5-6-11(7-16-8)9(2)17-14(20)13-12(15)10(3)19(4)18-13/h5-7,9H,1-4H3,(H,17,20)
InChIKeyPYJWLNDLWGSNIA-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide (CID 131908447) is 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide is Cc1ccc(C(C)NC(=O)c2nn(C)c(C)c2Cl)cn1.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is PYJWLNDLWGSNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8-5-6-11(7-16-8)9(2)17-14(20)13-12(15)10(3)19(4)18-13/h5-7,9H,1-4H3,(H,17,20).
What are the key properties of 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-[1-(6-methyl-3-pyridinyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 131908447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).