5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide

C18H25F2N3O — CID 69192378

IUPAC5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)C1(C(F)F)C=CN(C)N1
InChIInChI=1S/C18H25F2N3O/c1-12(2)11-13(3)14-7-5-6-8-15(14)21-17(24)18(16(19)20)9-10-23(4)22-18/h5-10,12-13,16,22H,11H2,1-4H3,(H,21,24)
InChIKeyFMCPWCCTEGDMAK-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.74
Rot. Bonds6

About 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide

5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 69192378) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID69192378
Molecular FormulaC18H25F2N3O
Molecular Weight337.41 g/mol
Exact Mass337.20
IUPAC Name5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)CC(C)c1ccccc1NC(=O)C1(C(F)F)C=CN(C)N1
InChIInChI=1S/C18H25F2N3O/c1-12(2)11-13(3)14-7-5-6-8-15(14)21-17(24)18(16(19)20)9-10-23(4)22-18/h5-10,12-13,16,22H,11H2,1-4H3,(H,21,24)
InChIKeyFMCPWCCTEGDMAK-UHFFFAOYSA-N
XLogP3.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 69192378) is 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide is CC(C)CC(C)c1ccccc1NC(=O)C1(C(F)F)C=CN(C)N1.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FMCPWCCTEGDMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c1-12(2)11-13(3)14-7-5-6-8-15(14)21-17(24)18(16(19)20)9-10-23(4)22-18/h5-10,12-13,16,22H,11H2,1-4H3,(H,21,24).
What are the key properties of 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69192378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).