1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide

C20H18ClF2N3O3 — CID 33283165

IUPAC1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1OC(F)F
InChIInChI=1S/C20H18ClF2N3O3/c1-12-16(11-25-26(12)15-6-4-14(21)5-7-15)19(27)24-10-13-3-8-17(29-20(22)23)18(9-13)28-2/h3-9,11,20H,10H2,1-2H3,(H,24,27)
InChIKeyDZIGRSBDEGVVSR-UHFFFAOYSA-N
MW421.83 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 33283165) has the molecular formula C20H18ClF2N3O3 and a molecular weight of 421.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide
PubChem CID33283165
Molecular FormulaC20H18ClF2N3O3
Molecular Weight421.83 g/mol
Exact Mass421.10
IUPAC Name1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1OC(F)F
InChIInChI=1S/C20H18ClF2N3O3/c1-12-16(11-25-26(12)15-6-4-14(21)5-7-15)19(27)24-10-13-3-8-17(29-20(22)23)18(9-13)28-2/h3-9,11,20H,10H2,1-2H3,(H,24,27)
InChIKeyDZIGRSBDEGVVSR-UHFFFAOYSA-N
XLogP4.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 24629688
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46588982
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36746054
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 38964681
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 41497826
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
CID 46589359
2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 26553804
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312
2-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-nitrobenzamide
CID 9193851

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide (CID 33283165) is 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide is COc1cc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1OC(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is DZIGRSBDEGVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O3/c1-12-16(11-25-26(12)15-6-4-14(21)5-7-15)19(27)24-10-13-3-8-17(29-20(22)23)18(9-13)28-2/h3-9,11,20H,10H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 421.83 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 33283165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).