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

C10H11ClF5N3 — CID 178109651

IUPAC1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine
SMILESNC(CC(F)F)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H11ClF5N3/c11-7-8(4-1-2-4)19(6(17)3-5(12)13)18-9(7)10(14,15)16/h4-6H,1-3,17H2
InChIKeyGXFYRVYVKXXWIO-UHFFFAOYSA-N
MW303.66 g/mol
LogP3.55
Rot. Bonds4

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

1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine (PubChem CID 178109651) has the molecular formula C10H11ClF5N3 and a molecular weight of 303.66 g/mol. Its IUPAC name is 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine
PubChem CID178109651
Molecular FormulaC10H11ClF5N3
Molecular Weight303.66 g/mol
Exact Mass303.06
IUPAC Name1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine
SMILESNC(CC(F)F)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C10H11ClF5N3/c11-7-8(4-1-2-4)19(6(17)3-5(12)13)18-9(7)10(14,15)16/h4-6H,1-3,17H2
InChIKeyGXFYRVYVKXXWIO-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.66
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine?
The IUPAC name of 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine (CID 178109651) is 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine.
What is the SMILES notation for 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine?
The canonical SMILES for 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine is NC(CC(F)F)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine?
The InChIKey is GXFYRVYVKXXWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF5N3/c11-7-8(4-1-2-4)19(6(17)3-5(12)13)18-9(7)10(14,15)16/h4-6H,1-3,17H2.
What are the key properties of 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine?
1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine has a molecular weight of 303.66 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3,3-difluoropropan-1-amine is sourced from PubChem (CID 178109651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).