N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide

C18H16ClF2N3O2 — CID 13191319

IUPACN-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16ClF2N3O2/c1-11-10-24(18(25)22-14-6-4-13(19)5-7-14)23-16(11)12-2-8-15(9-3-12)26-17(20)21/h2-9,11,17H,10H2,1H3,(H,22,25)
InChIKeyHCAKKUMHXREKSI-UHFFFAOYSA-N
MW379.79 g/mol
LogP4.83
Rot. Bonds4

About N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide

N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 13191319) has the molecular formula C18H16ClF2N3O2 and a molecular weight of 379.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID13191319
Molecular FormulaC18H16ClF2N3O2
Molecular Weight379.79 g/mol
Exact Mass379.09
IUPAC NameN-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16ClF2N3O2/c1-11-10-24(18(25)22-14-6-4-13(19)5-7-14)23-16(11)12-2-8-15(9-3-12)26-17(20)21/h2-9,11,17H,10H2,1H3,(H,22,25)
InChIKeyHCAKKUMHXREKSI-UHFFFAOYSA-N
XLogP4.83
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide (CID 13191319) is N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide is CC1CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is HCAKKUMHXREKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2/c1-11-10-24(18(25)22-14-6-4-13(19)5-7-14)23-16(11)12-2-8-15(9-3-12)26-17(20)21/h2-9,11,17H,10H2,1H3,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 379.79 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 13191319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).