4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

C12H15ClF3N3O — CID 71855601

IUPAC4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CCC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C12H15ClF3N3O/c1-2-19(6-5-12(14,15)16)11(20)10-8(13)9(17-18-10)7-3-4-7/h7H,2-6H2,1H3,(H,17,18)
InChIKeyFEFHFYIUKRPODB-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.36
Rot. Bonds5

About 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (PubChem CID 71855601) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
PubChem CID71855601
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CCC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C12H15ClF3N3O/c1-2-19(6-5-12(14,15)16)11(20)10-8(13)9(17-18-10)7-3-4-7/h7H,2-6H2,1H3,(H,17,18)
InChIKeyFEFHFYIUKRPODB-UHFFFAOYSA-N
XLogP3.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (CID 71855601) is 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is CCN(CCC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1Cl.
What is the InChIKey of 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FEFHFYIUKRPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-2-19(6-5-12(14,15)16)11(20)10-8(13)9(17-18-10)7-3-4-7/h7H,2-6H2,1H3,(H,17,18).
What are the key properties of 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 309.72 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-N-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71855601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).