3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide

C19H15F2N3O4 — CID 19513359

IUPAC3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C19H15F2N3O4/c1-10-6-12(28-19(20)21)3-4-13(10)22-18(25)15-8-14(23-24-15)11-2-5-16-17(7-11)27-9-26-16/h2-8,19H,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyAEGJWZPBSGTSEP-UHFFFAOYSA-N
MW387.34 g/mol
LogP3.97
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide

3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19513359) has the molecular formula C19H15F2N3O4 and a molecular weight of 387.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide
PubChem CID19513359
Molecular FormulaC19H15F2N3O4
Molecular Weight387.34 g/mol
Exact Mass387.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C19H15F2N3O4/c1-10-6-12(28-19(20)21)3-4-13(10)22-18(25)15-8-14(23-24-15)11-2-5-16-17(7-11)27-9-26-16/h2-8,19H,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyAEGJWZPBSGTSEP-UHFFFAOYSA-N
XLogP3.97
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513329
3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513234
3-(1,3-benzodioxol-5-yl)-N-(4-methyl-2-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19513232
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
CID 19514396
3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514191
3-(1,3-benzodioxol-5-yl)-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 19513302
3-(1,3-benzodioxol-5-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19513305
N-[4-(difluoromethoxy)-2-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 19475661
propan-2-yl 2-[[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19513230
N'-[4-(difluoromethoxy)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 43002109

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide (CID 19513359) is 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide is Cc1cc(OC(F)F)ccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AEGJWZPBSGTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4/c1-10-6-12(28-19(20)21)3-4-13(10)22-18(25)15-8-14(23-24-15)11-2-5-16-17(7-11)27-9-26-16/h2-8,19H,9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 387.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).