N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide

C18H21F2N3O — CID 172854849

IUPACN-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1CN(C(=O)c1cn(C)nc1C(F)F)C1CC1
InChIInChI=1S/C18H21F2N3O/c1-3-12-6-4-5-7-13(12)10-23(14-8-9-14)18(24)15-11-22(2)21-16(15)17(19)20/h4-7,11,14,17H,3,8-10H2,1-2H3
InChIKeyYOCTWZBCVBTYDK-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.72
Rot. Bonds6

About N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 172854849) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID172854849
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCc1ccccc1CN(C(=O)c1cn(C)nc1C(F)F)C1CC1
InChIInChI=1S/C18H21F2N3O/c1-3-12-6-4-5-7-13(12)10-23(14-8-9-14)18(24)15-11-22(2)21-16(15)17(19)20/h4-7,11,14,17H,3,8-10H2,1-2H3
InChIKeyYOCTWZBCVBTYDK-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide (CID 172854849) is N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide is CCc1ccccc1CN(C(=O)c1cn(C)nc1C(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YOCTWZBCVBTYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-3-12-6-4-5-7-13(12)10-23(14-8-9-14)18(24)15-11-22(2)21-16(15)17(19)20/h4-7,11,14,17H,3,8-10H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 172854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).