3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C10H13ClF3N3 — CID 19616930

IUPAC3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H13ClF3N3/c11-7-8(6-2-3-6)17(5-1-4-15)16-9(7)10(12,13)14/h6H,1-5,15H2
InChIKeyVYDMRXGMHCRHLL-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.78
Rot. Bonds4

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

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 19616930) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID19616930
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESNCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H13ClF3N3/c11-7-8(6-2-3-6)17(5-1-4-15)16-9(7)10(12,13)14/h6H,1-5,15H2
InChIKeyVYDMRXGMHCRHLL-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 19616930) is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is VYDMRXGMHCRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3/c11-7-8(6-2-3-6)17(5-1-4-15)16-9(7)10(12,13)14/h6H,1-5,15H2.
What are the key properties of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 267.68 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 19616930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).