1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide

C13H17F3N4O — CID 79646419

IUPAC1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(n2cc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-6-18-20(7-8)10-3-4-12(5-10,11(17)21)19-9-1-2-9/h6-7,9-10,19H,1-5H2,(H2,17,21)
InChIKeyYLRBAQSCXUMGPU-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.60
Rot. Bonds4

About 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide

1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide (PubChem CID 79646419) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide
PubChem CID79646419
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(n2cc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-6-18-20(7-8)10-3-4-12(5-10,11(17)21)19-9-1-2-9/h6-7,9-10,19H,1-5H2,(H2,17,21)
InChIKeyYLRBAQSCXUMGPU-UHFFFAOYSA-N
XLogP1.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide (CID 79646419) is 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide is NC(=O)C1(NC2CC2)CCC(n2cc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide?
The InChIKey is YLRBAQSCXUMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)8-6-18-20(7-8)10-3-4-12(5-10,11(17)21)19-9-1-2-9/h6-7,9-10,19H,1-5H2,(H2,17,21).
What are the key properties of 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide?
1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79646419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).