1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine

C12H18F3N3 — CID 64777428

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
SMILESNC(Cc1ccn(C2CCCC2)n1)CC(F)(F)F
InChIInChI=1S/C12H18F3N3/c13-12(14,15)8-9(16)7-10-5-6-18(17-10)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyFXUUIXKPEZXHOR-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.82
Rot. Bonds4

About 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine (PubChem CID 64777428) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
PubChem CID64777428
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
SMILESNC(Cc1ccn(C2CCCC2)n1)CC(F)(F)F
InChIInChI=1S/C12H18F3N3/c13-12(14,15)8-9(16)7-10-5-6-18(17-10)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyFXUUIXKPEZXHOR-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346103
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-amine
CID 64777634
[1-(1-cyclopentylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217560

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine (CID 64777428) is 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine is NC(Cc1ccn(C2CCCC2)n1)CC(F)(F)F.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine?
The InChIKey is FXUUIXKPEZXHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)8-9(16)7-10-5-6-18(17-10)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 64777428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).