5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C10H13F3N4O — CID 19432842

IUPAC5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-6(9(15)18)8(14)17(16-7)5-3-1-2-4-5/h5H,1-4,14H2,(H2,15,18)
InChIKeyAAERHSHOJWTSAH-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.70
Rot. Bonds2

About 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide

5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 19432842) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID19432842
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn(C2CCCC2)c1N
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-6(9(15)18)8(14)17(16-7)5-3-1-2-4-5/h5H,1-4,14H2,(H2,15,18)
InChIKeyAAERHSHOJWTSAH-UHFFFAOYSA-N
XLogP1.70
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 19432842) is 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide is NC(=O)c1c(C(F)(F)F)nn(C2CCCC2)c1N.
What is the InChIKey of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AAERHSHOJWTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-6(9(15)18)8(14)17(16-7)5-3-1-2-4-5/h5H,1-4,14H2,(H2,15,18).
What are the key properties of 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19432842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).