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

C16H22ClF2N3O2 — CID 57335425

IUPAC5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)N(CCC2CC2)CC2CCCO2)c1Cl
InChIInChI=1S/C16H22ClF2N3O2/c1-21-14(17)12(13(20-21)15(18)19)16(23)22(7-6-10-4-5-10)9-11-3-2-8-24-11/h10-11,15H,2-9H2,1H3
InChIKeyKOJNFYBTOOSWLO-UHFFFAOYSA-N
MW361.82 g/mol
LogP3.43
Rot. Bonds7

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

5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 57335425) has the molecular formula C16H22ClF2N3O2 and a molecular weight of 361.82 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID57335425
Molecular FormulaC16H22ClF2N3O2
Molecular Weight361.82 g/mol
Exact Mass361.14
IUPAC Name5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)N(CCC2CC2)CC2CCCO2)c1Cl
InChIInChI=1S/C16H22ClF2N3O2/c1-21-14(17)12(13(20-21)15(18)19)16(23)22(7-6-10-4-5-10)9-11-3-2-8-24-11/h10-11,15H,2-9H2,1H3
InChIKeyKOJNFYBTOOSWLO-UHFFFAOYSA-N
XLogP3.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 57335425) is 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)N(CCC2CC2)CC2CCCO2)c1Cl.
What is the InChIKey of 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is KOJNFYBTOOSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF2N3O2/c1-21-14(17)12(13(20-21)15(18)19)16(23)22(7-6-10-4-5-10)9-11-3-2-8-24-11/h10-11,15H,2-9H2,1H3.
What are the key properties of 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 361.82 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopropylethyl)-3-(difluoromethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57335425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).