N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C23H27N5O2 — CID 96517898

IUPACN-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)c1C1CC1
InChIInChI=1S/C23H27N5O2/c1-14-7-3-6-10-19(14)28-20(16-11-12-16)18(13-24-28)22(29)25-15(2)23-26-21(27-30-23)17-8-4-5-9-17/h3,6-7,10,13,15-17H,4-5,8-9,11-12H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyDLBPXPRCVVHOOM-HNNXBMFYSA-N
MW405.50 g/mol
LogP4.59
Rot. Bonds6

About N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 96517898) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID96517898
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)c1C1CC1
InChIInChI=1S/C23H27N5O2/c1-14-7-3-6-10-19(14)28-20(16-11-12-16)18(13-24-28)22(29)25-15(2)23-26-21(27-30-23)17-8-4-5-9-17/h3,6-7,10,13,15-17H,4-5,8-9,11-12H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyDLBPXPRCVVHOOM-HNNXBMFYSA-N
XLogP4.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 96517899
5-cyclohexyl-1-(2-methylphenyl)pyrazole-4-carboxylic acid
CID 82361439
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37022037
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596720
N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37175638
5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 36997228
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 37002386

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 96517898) is N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)c1C1CC1.
What is the InChIKey of N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is DLBPXPRCVVHOOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-7-3-6-10-19(14)28-20(16-11-12-16)18(13-24-28)22(29)25-15(2)23-26-21(27-30-23)17-8-4-5-9-17/h3,6-7,10,13,15-17H,4-5,8-9,11-12H2,1-2H3,(H,25,29)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 96517898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).