cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C20H24ClN3O — CID 95238146

IUPACcis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1
InChIInChI=1S/C20H24ClN3O/c1-24-12-14(11-23-24)17-10-18(17)19(25)22-13-20(8-2-3-9-20)15-4-6-16(21)7-5-15/h4-7,11-12,17-18H,2-3,8-10,13H2,1H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyAHLIJXHBIFCHRV-ROUUACIJSA-N
MW357.88 g/mol
LogP3.81
Rot. Bonds5

About cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 95238146) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID95238146
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Namecis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1
InChIInChI=1S/C20H24ClN3O/c1-24-12-14(11-23-24)17-10-18(17)19(25)22-13-20(8-2-3-9-20)15-4-6-16(21)7-5-15/h4-7,11-12,17-18H,2-3,8-10,13H2,1H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyAHLIJXHBIFCHRV-ROUUACIJSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclopentyl)methyl]pyrrolidine-3-carboxamide
CID 120920463
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120920625
(3R,4S)-N-[1-(4-chlorophenyl)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120929712
(2S,3S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 99808378
(2R,3R)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 99808377
(3R,4S)-N-[(1-ethylcyclopentyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936251
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-propylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 120937441
2-(4-chlorophenyl)-N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19330296
(3R,4S)-N-[4-(4-chlorophenyl)oxan-4-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120929710
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60573636
(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918491

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 95238146) is cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@@H]2C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cn1.
What is the InChIKey of cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is AHLIJXHBIFCHRV-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-24-12-14(11-23-24)17-10-18(17)19(25)22-13-20(8-2-3-9-20)15-4-6-16(21)7-5-15/h4-7,11-12,17-18H,2-3,8-10,13H2,1H3,(H,22,25)/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 357.88 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95238146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).