1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid

C12H16F3N3O2 — CID 79571145

IUPAC1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC1CCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)9-6-17-18(7-9)5-3-8-2-1-4-11(8,16)10(19)20/h6-8H,1-5,16H2,(H,19,20)
InChIKeyPUMXGPCNOJMTDQ-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.87
Rot. Bonds4

About 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid

1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79571145) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid
PubChem CID79571145
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCC1CCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)9-6-17-18(7-9)5-3-8-2-1-4-11(8,16)10(19)20/h6-8H,1-5,16H2,(H,19,20)
InChIKeyPUMXGPCNOJMTDQ-UHFFFAOYSA-N
XLogP1.87
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid (CID 79571145) is 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCCC1CCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is PUMXGPCNOJMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)9-6-17-18(7-9)5-3-8-2-1-4-11(8,16)10(19)20/h6-8H,1-5,16H2,(H,19,20).
What are the key properties of 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid?
1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79571145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).