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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Related Compounds

N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
4-chloro-1,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 77080184
2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 122107248
4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266700
2-[3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 122109426
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
CID 124755036
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
4-chloro-1,5-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 39853788
4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 135120365
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
CID 74251520

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).