(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide

C14H23N3O — CID 39891309

IUPAC(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1cc(C)nn1C1CCCC1
InChIInChI=1S/C14H23N3O/c1-4-10(2)14(18)15-13-9-11(3)16-17(13)12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyYEVNKQSFQBUGJG-JTQLQIEISA-N
MW249.36 g/mol
LogP3.29
Rot. Bonds4

About (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide

(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide (PubChem CID 39891309) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
PubChem CID39891309
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1cc(C)nn1C1CCCC1
InChIInChI=1S/C14H23N3O/c1-4-10(2)14(18)15-13-9-11(3)16-17(13)12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyYEVNKQSFQBUGJG-JTQLQIEISA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylphenyl)acetamide
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(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 29086908
3-(4-chlorophenyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)propanamide
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2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoylamino]-N-methyl-2-phenylacetamide
CID 72880120
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
CID 39853458
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide
CID 46998017
1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]urea
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1-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156607637
(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide
CID 125171891
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide?
The IUPAC name of (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide (CID 39891309) is (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide?
The canonical SMILES for (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide is CC[C@H](C)C(=O)Nc1cc(C)nn1C1CCCC1.
What is the InChIKey of (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide?
The InChIKey is YEVNKQSFQBUGJG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-10(2)14(18)15-13-9-11(3)16-17(13)12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide?
(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide has a molecular weight of 249.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide is sourced from PubChem (CID 39891309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).