5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide

C20H18ClF2N3O3 — CID 41497826

IUPAC5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)ccc1OC(F)F
InChIInChI=1S/C20H18ClF2N3O3/c1-12-17(18(21)26(25-12)14-6-4-3-5-7-14)19(27)24-11-13-8-9-15(29-20(22)23)16(10-13)28-2/h3-10,20H,11H2,1-2H3,(H,24,27)
InChIKeyIAFDLOFFTCKWLD-UHFFFAOYSA-N
MW421.83 g/mol
LogP4.37
Rot. Bonds7

About 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 41497826) has the molecular formula C20H18ClF2N3O3 and a molecular weight of 421.83 g/mol. Its IUPAC name is 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID41497826
Molecular FormulaC20H18ClF2N3O3
Molecular Weight421.83 g/mol
Exact Mass421.10
IUPAC Name5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)ccc1OC(F)F
InChIInChI=1S/C20H18ClF2N3O3/c1-12-17(18(21)26(25-12)14-6-4-3-5-7-14)19(27)24-11-13-8-9-15(29-20(22)23)16(10-13)28-2/h3-10,20H,11H2,1-2H3,(H,24,27)
InChIKeyIAFDLOFFTCKWLD-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

methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 27883567
1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 33283165
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[(3,4-diethoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477619
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
2-benzyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39945126
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041
(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 41497826) is 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide is COc1cc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)ccc1OC(F)F.
What is the InChIKey of 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is IAFDLOFFTCKWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O3/c1-12-17(18(21)26(25-12)14-6-4-3-5-7-14)19(27)24-11-13-8-9-15(29-20(22)23)16(10-13)28-2/h3-10,20H,11H2,1-2H3,(H,24,27).
What are the key properties of 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-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 5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 41497826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).