1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine

C13H9F6N5S — CID 171789533

IUPAC1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)c(-c3cc(C(F)(F)F)cs3)c2N)n1
InChIInChI=1S/C13H9F6N5S/c1-23-3-2-8(21-23)24-11(20)9(10(22-24)13(17,18)19)7-4-6(5-25-7)12(14,15)16/h2-5H,20H2,1H3
InChIKeyOJQYHOZCNXFNGJ-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.95
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine

1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine (PubChem CID 171789533) has the molecular formula C13H9F6N5S and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine
PubChem CID171789533
Molecular FormulaC13H9F6N5S
Molecular Weight381.31 g/mol
Exact Mass381.05
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine
SMILESCn1ccc(-n2nc(C(F)(F)F)c(-c3cc(C(F)(F)F)cs3)c2N)n1
InChIInChI=1S/C13H9F6N5S/c1-23-3-2-8(21-23)24-11(20)9(10(22-24)13(17,18)19)7-4-6(5-25-7)12(14,15)16/h2-5H,20H2,1H3
InChIKeyOJQYHOZCNXFNGJ-UHFFFAOYSA-N
XLogP3.95
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 171789512
1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 171789540
4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789491
4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789547
5-methyl-1-(1-methylpyrazol-3-yl)pyrazol-3-amine
CID 102942950
methyl N-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
CID 171789481
5-[4-(trifluoromethyl)thiophen-2-yl]-1H-pyrazole
CID 150661370
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
4-(trifluoromethyl)thiophen-2-amine;hydrochloride
CID 22293888
4-(3-bromophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100560928
4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 19620854

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine (CID 171789533) is 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine is Cn1ccc(-n2nc(C(F)(F)F)c(-c3cc(C(F)(F)F)cs3)c2N)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine?
The InChIKey is OJQYHOZCNXFNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N5S/c1-23-3-2-8(21-23)24-11(20)9(10(22-24)13(17,18)19)7-4-6(5-25-7)12(14,15)16/h2-5H,20H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine?
1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine has a molecular weight of 381.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine is sourced from PubChem (CID 171789533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).