4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine

C17H14ClF6N5 — CID 171789547

IUPAC4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)n1ccc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(C(F)(F)F)c3)c2N)n1
InChIInChI=1S/C17H14ClF6N5/c1-8(2)28-4-3-12(26-28)29-15(25)13(14(27-29)17(22,23)24)9-5-10(16(19,20)21)7-11(18)6-9/h3-8H,25H2,1-2H3
InChIKeySEZWCJJQAYOABJ-UHFFFAOYSA-N
MW437.78 g/mol
LogP5.59
Rot. Bonds3

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

4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789547) has the molecular formula C17H14ClF6N5 and a molecular weight of 437.78 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789547
Molecular FormulaC17H14ClF6N5
Molecular Weight437.78 g/mol
Exact Mass437.08
IUPAC Name4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)n1ccc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(C(F)(F)F)c3)c2N)n1
InChIInChI=1S/C17H14ClF6N5/c1-8(2)28-4-3-12(26-28)29-15(25)13(14(27-29)17(22,23)24)9-5-10(16(19,20)21)7-11(18)6-9/h3-8H,25H2,1-2H3
InChIKeySEZWCJJQAYOABJ-UHFFFAOYSA-N
XLogP5.59
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.78
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 171789540
1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 171789512
4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(3-methoxypyrazin-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 87179222
methyl N-[4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
CID 171789481
1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)-4-[4-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine
CID 171789533
4-[3-chloro-5-(trifluoromethyl)phenyl]-N-propan-2-yl-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87295556
1-(4-chlorophenyl)-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
CID 71384169
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
1-(3-methoxypyrazin-2-yl)-4-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-amine
CID 58119482
4-iodo-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789491
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 171789547) is 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is CC(C)n1ccc(-n2nc(C(F)(F)F)c(-c3cc(Cl)cc(C(F)(F)F)c3)c2N)n1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is SEZWCJJQAYOABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF6N5/c1-8(2)28-4-3-12(26-28)29-15(25)13(14(27-29)17(22,23)24)9-5-10(16(19,20)21)7-11(18)6-9/h3-8H,25H2,1-2H3.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine?
4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 437.78 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)phenyl]-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).