[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine

C6H7ClF3N3 — CID 71053772

IUPAC[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(Cl)c1CN
InChIInChI=1S/C6H7ClF3N3/c1-13-3(2-11)4(7)5(12-13)6(8,9)10/h2,11H2,1H3
InChIKeyLWFKVEUCRIHMDW-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.55
Rot. Bonds1

About [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine

[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine (PubChem CID 71053772) has the molecular formula C6H7ClF3N3 and a molecular weight of 213.59 g/mol. Its IUPAC name is [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
PubChem CID71053772
Molecular FormulaC6H7ClF3N3
Molecular Weight213.59 g/mol
Exact Mass213.03
IUPAC Name[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(Cl)c1CN
InChIInChI=1S/C6H7ClF3N3/c1-13-3(2-11)4(7)5(12-13)6(8,9)10/h2,11H2,1H3
InChIKeyLWFKVEUCRIHMDW-UHFFFAOYSA-N
XLogP1.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The IUPAC name of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine (CID 71053772) is [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine is Cn1nc(C(F)(F)F)c(Cl)c1CN.
What is the InChIKey of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The InChIKey is LWFKVEUCRIHMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3/c1-13-3(2-11)4(7)5(12-13)6(8,9)10/h2,11H2,1H3.
What are the key properties of [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine has a molecular weight of 213.59 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 71053772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).