2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine

C13H13ClF3N3 — CID 21293131

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine
SMILESCc1cc(N(C)C)n(-c2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H13ClF3N3/c1-8-6-12(19(2)3)20(18-8)11-5-4-9(7-10(11)14)13(15,16)17/h4-7H,1-3H3
InChIKeyBTMIIGIYTCYLFV-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.92
Rot. Bonds2

About 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine

2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine (PubChem CID 21293131) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine
PubChem CID21293131
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine
SMILESCc1cc(N(C)C)n(-c2ccc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H13ClF3N3/c1-8-6-12(19(2)3)20(18-8)11-5-4-9(7-10(11)14)13(15,16)17/h4-7H,1-3H3
InChIKeyBTMIIGIYTCYLFV-UHFFFAOYSA-N
XLogP3.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-(trifluoromethyl)phenyl]-3-isocyano-5-methylpyrazole
CID 59712253
2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123368703
2-[2-chloro-4-(trifluoromethyl)phenyl]-N,6-dimethyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 144685154
4-[1-[2-chloro-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]phenol
CID 44816585
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
5-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylsulfanylpyrazole-3-carbonitrile
CID 18005349
1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
CID 13281506
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871616
3-[2-chloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)triazol-4-amine
CID 25154238
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxylic acid
CID 82362513
5-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)triazole
CID 44816586

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine (CID 21293131) is 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine is Cc1cc(N(C)C)n(-c2ccc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine?
The InChIKey is BTMIIGIYTCYLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-8-6-12(19(2)3)20(18-8)11-5-4-9(7-10(11)14)13(15,16)17/h4-7H,1-3H3.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine?
2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine has a molecular weight of 303.72 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenyl]-N,N,5-trimethylpyrazol-3-amine is sourced from PubChem (CID 21293131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).