1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide

C19H25ClN4O — CID 47088976

IUPAC1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C19H25ClN4O/c1-23(2)13-14-24-12-9-17(22-24)21-18(25)19(10-3-4-11-19)15-5-7-16(20)8-6-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H,21,22,25)
InChIKeyCJSHGCGODZOWFG-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 47088976) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
PubChem CID47088976
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1
InChIInChI=1S/C19H25ClN4O/c1-23(2)13-14-24-12-9-17(22-24)21-18(25)19(10-3-4-11-19)15-5-7-16(20)8-6-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H,21,22,25)
InChIKeyCJSHGCGODZOWFG-UHFFFAOYSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231223
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
2-[3-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119230634
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335
2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide
CID 139008887
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
N-(1-ethylpyrazol-3-yl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537630
(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96997890
2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231028
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide (CID 47088976) is 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide is CN(C)CCn1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide?
The InChIKey is CJSHGCGODZOWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-23(2)13-14-24-12-9-17(22-24)21-18(25)19(10-3-4-11-19)15-5-7-16(20)8-6-15/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H,21,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47088976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).