N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine

C9H14F3N3 — CID 62731582

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C9H14F3N3/c1-7(2)13-3-8-4-14-15(5-8)6-9(10,11)12/h4-5,7,13H,3,6H2,1-2H3
InChIKeyCSLREOLKFLPNQM-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.94
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine

N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 62731582) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID62731582
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C9H14F3N3/c1-7(2)13-3-8-4-14-15(5-8)6-9(10,11)12/h4-5,7,13H,3,6H2,1-2H3
InChIKeyCSLREOLKFLPNQM-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732121
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]butan-1-amine;hydrochloride
CID 126964946
4-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 121207449
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 114130166
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N',N'-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 126965096
1,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-5-amine;hydrochloride
CID 126964008
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858
N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine
CID 65177937

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine (CID 62731582) is N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is CSLREOLKFLPNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-7(2)13-3-8-4-14-15(5-8)6-9(10,11)12/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 221.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62731582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).