(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide

C24H28N4O — CID 97104829

IUPAC(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C24H28N4O/c1-2-22(18-8-4-3-5-9-18)24(29)26-17-20-16-23(19-12-14-25-15-13-19)28(27-20)21-10-6-7-11-21/h3-5,8-9,12-16,21-22H,2,6-7,10-11,17H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyGFRVURATHOOCAG-JOCHJYFZSA-N
MW388.52 g/mol
LogP4.87
Rot. Bonds7

About (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide

(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide (PubChem CID 97104829) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide
PubChem CID97104829
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C24H28N4O/c1-2-22(18-8-4-3-5-9-18)24(29)26-17-20-16-23(19-12-14-25-15-13-19)28(27-20)21-10-6-7-11-21/h3-5,8-9,12-16,21-22H,2,6-7,10-11,17H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyGFRVURATHOOCAG-JOCHJYFZSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
CID 90555288
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea
CID 90555522
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555537
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 90555336
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 90555360
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 90555323
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555343
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797569
2-phenyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)butanamide
CID 90569571
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 90555393

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide (CID 97104829) is (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide?
The InChIKey is GFRVURATHOOCAG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O/c1-2-22(18-8-4-3-5-9-18)24(29)26-17-20-16-23(19-12-14-25-15-13-19)28(27-20)21-10-6-7-11-21/h3-5,8-9,12-16,21-22H,2,6-7,10-11,17H2,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide?
(2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide has a molecular weight of 388.52 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 97104829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).