1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine

C12H12ClF3N4 — CID 83216893

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(-c2ncc(C(F)(F)F)cc2Cl)cc1N
InChIInChI=1S/C12H12ClF3N4/c1-6(2)10-9(17)5-20(19-10)11-8(13)3-7(4-18-11)12(14,15)16/h3-6H,17H2,1-2H3
InChIKeyUTBOTRLZVNIBBY-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.65
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine (PubChem CID 83216893) has the molecular formula C12H12ClF3N4 and a molecular weight of 304.70 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine
PubChem CID83216893
Molecular FormulaC12H12ClF3N4
Molecular Weight304.70 g/mol
Exact Mass304.07
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(-c2ncc(C(F)(F)F)cc2Cl)cc1N
InChIInChI=1S/C12H12ClF3N4/c1-6(2)10-9(17)5-20(19-10)11-8(13)3-7(4-18-11)12(14,15)16/h3-6H,17H2,1-2H3
InChIKeyUTBOTRLZVNIBBY-UHFFFAOYSA-N
XLogP3.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazole-4-carbaldehyde
CID 43168608
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
3-chloro-2-[4-(1,1,2,2-tetrafluoroethyl)imidazol-1-yl]-5-(trifluoromethyl)pyridine
CID 19892779
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonyl chloride
CID 43531727
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 60641606
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one
CID 67953081
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 69085891
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
CID 63198526

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine (CID 83216893) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(-c2ncc(C(F)(F)F)cc2Cl)cc1N.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine?
The InChIKey is UTBOTRLZVNIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N4/c1-6(2)10-9(17)5-20(19-10)11-8(13)3-7(4-18-11)12(14,15)16/h3-6H,17H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine has a molecular weight of 304.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 83216893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).