N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C10H16F3N3 — CID 115929500

IUPACN-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCCC(CC)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-3-8(4-2)14-9-5-6-16(15-9)7-10(11,12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyCJHRBLQBOSJIQM-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.05
Rot. Bonds5

About N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 115929500) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID115929500
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC NameN-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCCC(CC)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C10H16F3N3/c1-3-8(4-2)14-9-5-6-16(15-9)7-10(11,12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyCJHRBLQBOSJIQM-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75509178
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 120873325
N-(2-propan-2-ylphenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75451889
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141
2-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propan-1-one
CID 118673377
1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75521665
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 132770062
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
N-(3-cyanophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propanamide
CID 75451888
1-(5-methyl-2-pyridinyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 99835817
1-methyl-N-[(3R,5R)-5-methylheptan-3-yl]pyrazol-3-amine
CID 93314025

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 115929500) is N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is CCC(CC)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is CJHRBLQBOSJIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-8(4-2)14-9-5-6-16(15-9)7-10(11,12)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 235.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 115929500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).