1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide

C18H26N4O — CID 97110787

IUPAC1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N[C@@H](C)c1cccc(C)n1
InChIInChI=1S/C18H26N4O/c1-6-22-17(11-15(21-22)10-12(2)3)18(23)20-14(5)16-9-7-8-13(4)19-16/h7-9,11-12,14H,6,10H2,1-5H3,(H,20,23)/t14-/m0/s1
InChIKeyJLJIVKZPBMWOBW-AWEZNQCLSA-N
MW314.43 g/mol
LogP3.30
Rot. Bonds6

About 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide

1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide (PubChem CID 97110787) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide
PubChem CID97110787
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N[C@@H](C)c1cccc(C)n1
InChIInChI=1S/C18H26N4O/c1-6-22-17(11-15(21-22)10-12(2)3)18(23)20-14(5)16-9-7-8-13(4)19-16/h7-9,11-12,14H,6,10H2,1-5H3,(H,20,23)/t14-/m0/s1
InChIKeyJLJIVKZPBMWOBW-AWEZNQCLSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[1-(4-methylphenyl)cyclopropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72933924
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
CID 72912017
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72905914
ethane;N-[1-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 177366227
1-ethyl-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 97150133
1-ethyl-N-[2-(5-methylfuran-2-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131904122
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72864861
1-ethyl-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131889543
N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72898422
1-ethyl-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70730522
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide (CID 97110787) is 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N[C@@H](C)c1cccc(C)n1.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide?
The InChIKey is JLJIVKZPBMWOBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-6-22-17(11-15(21-22)10-12(2)3)18(23)20-14(5)16-9-7-8-13(4)19-16/h7-9,11-12,14H,6,10H2,1-5H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide?
1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 97110787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).