5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C14H18ClF2N3O2 — CID 57335423

IUPAC5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)N(CC2CCCO2)C2CC2)c1Cl
InChIInChI=1S/C14H18ClF2N3O2/c1-19-12(15)10(11(18-19)13(16)17)14(21)20(8-4-5-8)7-9-3-2-6-22-9/h8-9,13H,2-7H2,1H3
InChIKeyFDQZYFXHJAYUQJ-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.79
Rot. Bonds5

About 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 57335423) has the molecular formula C14H18ClF2N3O2 and a molecular weight of 333.77 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID57335423
Molecular FormulaC14H18ClF2N3O2
Molecular Weight333.77 g/mol
Exact Mass333.11
IUPAC Name5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)N(CC2CCCO2)C2CC2)c1Cl
InChIInChI=1S/C14H18ClF2N3O2/c1-19-12(15)10(11(18-19)13(16)17)14(21)20(8-4-5-8)7-9-3-2-6-22-9/h8-9,13H,2-7H2,1H3
InChIKeyFDQZYFXHJAYUQJ-UHFFFAOYSA-N
XLogP2.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 57335423) is 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)N(CC2CCCO2)C2CC2)c1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is FDQZYFXHJAYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N3O2/c1-19-12(15)10(11(18-19)13(16)17)14(21)20(8-4-5-8)7-9-3-2-6-22-9/h8-9,13H,2-7H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 333.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57335423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).