3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride

C11H16ClF3N4O — CID 119796052

IUPAC3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C11H15F3N4O.ClH/c12-11(13,14)6-18-5-9(4-16-18)17-10(19)7-1-2-8(15)3-7;/h4-5,7-8H,1-3,6,15H2,(H,17,19);1H
InChIKeyXIMWPOJMNWYUTL-UHFFFAOYSA-N
MW312.72 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119796052) has the molecular formula C11H16ClF3N4O and a molecular weight of 312.72 g/mol. Its IUPAC name is 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119796052
Molecular FormulaC11H16ClF3N4O
Molecular Weight312.72 g/mol
Exact Mass312.10
IUPAC Name3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C11H15F3N4O.ClH/c12-11(13,14)6-18-5-9(4-16-18)17-10(19)7-1-2-8(15)3-7;/h4-5,7-8H,1-3,6,15H2,(H,17,19);1H
InChIKeyXIMWPOJMNWYUTL-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56901063
2-acetamido-2-cyclopentyl-N-(1-methylpyrazol-4-yl)acetamide
CID 45817623
(2R)-6-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide
CID 128255890
(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 164637617
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 168936120
(2S)-2-(4,4-difluorocyclohexyl)-2-(iodosylamino)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 168936166
2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 169730976
(2S)-2-amino-3,3-dicyclopropyl-N-[1-[2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propyl]pyrazol-4-yl]propanamide
CID 174117926
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride
CID 175914963
2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 177043199
(2S)-2-amino-3-(4-fluorocyclohexyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 177043302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119796052) is 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XIMWPOJMNWYUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O.ClH/c12-11(13,14)6-18-5-9(4-16-18)17-10(19)7-1-2-8(15)3-7;/h4-5,7-8H,1-3,6,15H2,(H,17,19);1H.
What are the key properties of 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119796052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).