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

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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).