2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide

C19H16ClF2N3O3 — CID 19507442

IUPAC2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccnn2COc2ccc(Cl)cc2)c(OC(F)F)c1
InChIInChI=1S/C19H16ClF2N3O3/c1-12-2-7-15(17(10-12)28-19(21)22)24-18(26)16-8-9-23-25(16)11-27-14-5-3-13(20)4-6-14/h2-10,19H,11H2,1H3,(H,24,26)
InChIKeyKKPBFWKAQYHWRE-UHFFFAOYSA-N
MW407.80 g/mol
LogP4.74
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide (PubChem CID 19507442) has the molecular formula C19H16ClF2N3O3 and a molecular weight of 407.80 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
PubChem CID19507442
Molecular FormulaC19H16ClF2N3O3
Molecular Weight407.80 g/mol
Exact Mass407.08
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccnn2COc2ccc(Cl)cc2)c(OC(F)F)c1
InChIInChI=1S/C19H16ClF2N3O3/c1-12-2-7-15(17(10-12)28-19(21)22)24-18(26)16-8-9-23-25(16)11-27-14-5-3-13(20)4-6-14/h2-10,19H,11H2,1H3,(H,24,26)
InChIKeyKKPBFWKAQYHWRE-UHFFFAOYSA-N
XLogP4.74
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19507288
2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19507567
2-[(4-chlorophenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19507397
N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507416
2-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 19507558
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19394755
2-[(4-chlorophenoxy)methyl]-N-(2-cyano-4-nitrophenyl)pyrazole-3-carboxamide
CID 19507566
2-[(4-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19346706
propan-2-yl 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404559
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19345682
2-[(4-chlorophenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19338784

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide (CID 19507442) is 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccnn2COc2ccc(Cl)cc2)c(OC(F)F)c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide?
The InChIKey is KKPBFWKAQYHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O3/c1-12-2-7-15(17(10-12)28-19(21)22)24-18(26)16-8-9-23-25(16)11-27-14-5-3-13(20)4-6-14/h2-10,19H,11H2,1H3,(H,24,26).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide has a molecular weight of 407.80 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).