1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine

C16H13F6N5 — CID 171789540

IUPAC1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1cc(-c2c(C(F)(F)F)nn(-c3ccn(C)n3)c2N)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N5/c1-8-5-9(7-10(6-8)15(17,18)19)12-13(16(20,21)22)25-27(14(12)23)11-3-4-26(2)24-11/h3-7H,23H2,1-2H3
InChIKeyWADOKAZHMNBKCE-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.20
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine

1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789540) has the molecular formula C16H13F6N5 and a molecular weight of 389.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789540
Molecular FormulaC16H13F6N5
Molecular Weight389.30 g/mol
Exact Mass389.11
IUPAC Name1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1cc(-c2c(C(F)(F)F)nn(-c3ccn(C)n3)c2N)cc(C(F)(F)F)c1
InChIInChI=1S/C16H13F6N5/c1-8-5-9(7-10(6-8)15(17,18)19)12-13(16(20,21)22)25-27(14(12)23)11-3-4-26(2)24-11/h3-7H,23H2,1-2H3
InChIKeyWADOKAZHMNBKCE-UHFFFAOYSA-N
XLogP4.20
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine
CID 171789533
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
methyl N-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
CID 171789481
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100561110
1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 58119482
4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 87179222
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
4-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561206
5-methyl-1-(1-methylpyrazol-3-yl)pyrazol-3-amine
CID 102942950

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine (CID 171789540) is 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine is Cc1cc(-c2c(C(F)(F)F)nn(-c3ccn(C)n3)c2N)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is WADOKAZHMNBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N5/c1-8-5-9(7-10(6-8)15(17,18)19)12-13(16(20,21)22)25-27(14(12)23)11-3-4-26(2)24-11/h3-7H,23H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine?
1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 389.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).