4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide

C17H10ClF2N3O3 — CID 57114054

IUPAC4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)n1cc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H10ClF2N3O3/c18-12-3-1-10(2-4-12)11-8-21-23(9-11)16(24)22-13-5-6-14-15(7-13)26-17(19,20)25-14/h1-9H,(H,22,24)
InChIKeyZSINECNEQMPOIP-UHFFFAOYSA-N
MW377.73 g/mol
LogP4.61
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide

4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide (PubChem CID 57114054) has the molecular formula C17H10ClF2N3O3 and a molecular weight of 377.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide
PubChem CID57114054
Molecular FormulaC17H10ClF2N3O3
Molecular Weight377.73 g/mol
Exact Mass377.04
IUPAC Name4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC(F)(F)O2)n1cc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H10ClF2N3O3/c18-12-3-1-10(2-4-12)11-8-21-23(9-11)16(24)22-13-5-6-14-15(7-13)26-17(19,20)25-14/h1-9H,(H,22,24)
InChIKeyZSINECNEQMPOIP-UHFFFAOYSA-N
XLogP4.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.73
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277380
1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 132846933
7-chloro-4a-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-2-carboxamide
CID 134106021
4-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 18204016
[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]carbamic acid
CID 69107534
3,4-bis(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrazole-1-carboxamide
CID 56984935
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 24690664
4-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 58641815
N,4-bis(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70408880
methyl 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoacetate
CID 112616624
2-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylpropanamide
CID 116816927
trans-(1R,2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95234868

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide (CID 57114054) is 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide is O=C(Nc1ccc2c(c1)OC(F)(F)O2)n1cc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide?
The InChIKey is ZSINECNEQMPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N3O3/c18-12-3-1-10(2-4-12)11-8-21-23(9-11)16(24)22-13-5-6-14-15(7-13)26-17(19,20)25-14/h1-9H,(H,22,24).
What are the key properties of 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide?
4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide has a molecular weight of 377.73 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 57114054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).