(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide

C21H27N3O — CID 125435454

IUPAC(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(Cn2cccn2)CC1)[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C21H27N3O/c25-20(22-15-21(11-12-21)16-24-14-6-13-23-24)19(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,13-14,18-19H,4-5,9-12,15-16H2,(H,22,25)/t19-/m0/s1
InChIKeyNLVVESISMYYLLW-IBGZPJMESA-N
MW337.47 g/mol
LogP3.75
Rot. Bonds7

About (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide

(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide (PubChem CID 125435454) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
PubChem CID125435454
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(Cn2cccn2)CC1)[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C21H27N3O/c25-20(22-15-21(11-12-21)16-24-14-6-13-23-24)19(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,13-14,18-19H,4-5,9-12,15-16H2,(H,22,25)/t19-/m0/s1
InChIKeyNLVVESISMYYLLW-IBGZPJMESA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 118769438
(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 125444165
2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91774286
2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 122567382
6-amino-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 91762623
5-ethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 122563230
1-(8-methylquinolin-5-yl)-3-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]urea
CID 72929088

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide (CID 125435454) is (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide is O=C(NCC1(Cn2cccn2)CC1)[C@@H](c1ccccc1)C1CCCC1.
What is the InChIKey of (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
The InChIKey is NLVVESISMYYLLW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O/c25-20(22-15-21(11-12-21)16-24-14-6-13-23-24)19(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,13-14,18-19H,4-5,9-12,15-16H2,(H,22,25)/t19-/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide?
(2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 125435454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).