(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide

C24H27N3O3 — CID 93005058

IUPAC(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1C1CC1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-4-18(15-8-6-5-7-9-15)24(28)25-23-21(16-10-11-16)26-27-22(23)17-12-13-19(29-2)20(14-17)30-3/h5-9,12-14,16,18H,4,10-11H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyGIUDBCGXEPVXGK-SFHVURJKSA-N
MW405.50 g/mol
LogP5.10
Rot. Bonds8

About (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide

(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide (PubChem CID 93005058) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
PubChem CID93005058
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1C1CC1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-4-18(15-8-6-5-7-9-15)24(28)25-23-21(16-10-11-16)26-27-22(23)17-12-13-19(29-2)20(14-17)30-3/h5-9,12-14,16,18H,4,10-11H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyGIUDBCGXEPVXGK-SFHVURJKSA-N
XLogP5.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005130
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 42686286
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
(2R)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005194
4-chloro-N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]benzamide
CID 42874002
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134
N-[2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]-2-(4-nitrophenyl)butanamide
CID 67663809
N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
(2R)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 7425580

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide (CID 93005058) is (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1c(-c2ccc(OC)c(OC)c2)n[nH]c1C1CC1)c1ccccc1.
What is the InChIKey of (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
The InChIKey is GIUDBCGXEPVXGK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-18(15-8-6-5-7-9-15)24(28)25-23-21(16-10-11-16)26-27-22(23)17-12-13-19(29-2)20(14-17)30-3/h5-9,12-14,16,18H,4,10-11H2,1-3H3,(H,25,28)(H,26,27)/t18-/m0/s1.
What are the key properties of (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide?
(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide has a molecular weight of 405.50 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide is sourced from PubChem (CID 93005058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).