N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H17ClF3N5O — CID 119602270

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F
InChIInChI=1S/C16H17ClF3N5O/c17-11-4-2-6-22-14(11)25-13(16(18,19)20)10(8-23-25)15(26)24-12-5-1-3-9(12)7-21/h2,4,6,8-9,12H,1,3,5,7,21H2,(H,24,26)
InChIKeyAWBPJADELYYBND-UHFFFAOYSA-N
MW387.79 g/mol
LogP2.80
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 119602270) has the molecular formula C16H17ClF3N5O and a molecular weight of 387.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID119602270
Molecular FormulaC16H17ClF3N5O
Molecular Weight387.79 g/mol
Exact Mass387.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F
InChIInChI=1S/C16H17ClF3N5O/c17-11-4-2-6-22-14(11)25-13(16(18,19)20)10(8-23-25)15(26)24-12-5-1-3-9(12)7-21/h2,4,6,8-9,12H,1,3,5,7,21H2,(H,24,26)
InChIKeyAWBPJADELYYBND-UHFFFAOYSA-N
XLogP2.80
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-piperidin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119426018
N-(3-aminopropyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119406316
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119511572
N-[(2S)-1-aminopropan-2-yl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120505787
1-(3-chloro-2-pyridinyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119511571
N-(2-amino-2-ethylbutyl)-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119641206
1-(3-chloro-2-pyridinyl)-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide;dihydrochloride
CID 119501500
N-[2-(aminomethyl)cyclopentyl]-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119602673
N-[2-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119602696
[1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612806
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119602714
1-(3-chloro-2-pyridinyl)-N-methyl-N-(2H-tetrazol-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 167873315

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 119602270) is N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is NCC1CCCC1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AWBPJADELYYBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N5O/c17-11-4-2-6-22-14(11)25-13(16(18,19)20)10(8-23-25)15(26)24-12-5-1-3-9(12)7-21/h2,4,6,8-9,12H,1,3,5,7,21H2,(H,24,26).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 387.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119602270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).