1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine

C8H9ClF3N3 — CID 84799923

IUPAC1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine
SMILESCn1nc(Cl)c(C2(N)CC2)c1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-15-5(8(10,11)12)4(6(9)14-15)7(13)2-3-7/h2-3,13H2,1H3
InChIKeyVAOGBSXWIWRVGU-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.04
Rot. Bonds1

About 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine

1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine (PubChem CID 84799923) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine
PubChem CID84799923
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine
SMILESCn1nc(Cl)c(C2(N)CC2)c1C(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-15-5(8(10,11)12)4(6(9)14-15)7(13)2-3-7/h2-3,13H2,1H3
InChIKeyVAOGBSXWIWRVGU-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine (CID 84799923) is 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine is Cn1nc(Cl)c(C2(N)CC2)c1C(F)(F)F.
What is the InChIKey of 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine?
The InChIKey is VAOGBSXWIWRVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-15-5(8(10,11)12)4(6(9)14-15)7(13)2-3-7/h2-3,13H2,1H3.
What are the key properties of 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine?
1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine has a molecular weight of 239.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84799923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).