1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide

C19H16ClN3O3 — CID 110372991

IUPAC1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3/c1-12-10-16(22-23(12)15-5-2-13(20)3-6-15)19(24)21-14-4-7-17-18(11-14)26-9-8-25-17/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyXUUMBIKAKZCZOU-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.86
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 110372991) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
PubChem CID110372991
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O3/c1-12-10-16(22-23(12)15-5-2-13(20)3-6-15)19(24)21-14-4-7-17-18(11-14)26-9-8-25-17/h2-7,10-11H,8-9H2,1H3,(H,21,24)
InChIKeyXUUMBIKAKZCZOU-UHFFFAOYSA-N
XLogP3.86
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 50772918
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179890
1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 166201309
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 110370533
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
6-(5-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109128870
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
2-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109316960
(2R)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 2610229
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915143
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 113216373

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide (CID 110372991) is 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is XUUMBIKAKZCZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-12-10-16(22-23(12)15-5-2-13(20)3-6-15)19(24)21-14-4-7-17-18(11-14)26-9-8-25-17/h2-7,10-11H,8-9H2,1H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110372991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).