1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

C16H14F3N3S — CID 58907097

IUPAC1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)cc1NCc1ccsc1
InChIInChI=1S/C16H14F3N3S/c1-22-15(20-9-11-6-7-23-10-11)8-14(21-22)12-2-4-13(5-3-12)16(17,18)19/h2-8,10,20H,9H2,1H3
InChIKeyXUBIHLOLXVLECJ-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.78
Rot. Bonds4

About 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine

1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (PubChem CID 58907097) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
PubChem CID58907097
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC Name1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)cc1NCc1ccsc1
InChIInChI=1S/C16H14F3N3S/c1-22-15(20-9-11-6-7-23-10-11)8-14(21-22)12-2-4-13(5-3-12)16(17,18)19/h2-8,10,20H,9H2,1H3
InChIKeyXUBIHLOLXVLECJ-UHFFFAOYSA-N
XLogP4.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-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

4-methyl-N-(thiophen-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
CID 58906935
[4-[1-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazol-3-yl]phenyl]methanol
CID 156777511
5-(chloromethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
CID 21082224
3-bromo-N-(thiophen-3-ylmethyl)-5-(trifluoromethyl)aniline
CID 65489410
1-N,1-N-dimethyl-2-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 71845506
1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 13370512
1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanone
CID 115093201
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
N-[(1,3-dimethyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 25217128
2-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 115654957
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine (CID 58907097) is 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1NCc1ccsc1.
What is the InChIKey of 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
The InChIKey is XUBIHLOLXVLECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3S/c1-22-15(20-9-11-6-7-23-10-11)8-14(21-22)12-2-4-13(5-3-12)16(17,18)19/h2-8,10,20H,9H2,1H3.
What are the key properties of 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine?
1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine has a molecular weight of 337.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 58907097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).