N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide

C13H15N3O3 — CID 110860648

IUPACN-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]ncc2C)cc1OC
InChIInChI=1S/C13H15N3O3/c1-8-7-14-16-12(8)13(17)15-9-4-5-10(18-2)11(6-9)19-3/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyXUZGNLYDHMKFJQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.99
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide

N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 110860648) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID110860648
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2[nH]ncc2C)cc1OC
InChIInChI=1S/C13H15N3O3/c1-8-7-14-16-12(8)13(17)15-9-4-5-10(18-2)11(6-9)19-3/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyXUZGNLYDHMKFJQ-UHFFFAOYSA-N
XLogP1.99
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110864874
N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832116
methyl 5-[(3,4-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25392367
4-acetyl-N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2519212
N-(5-acetamido-2-methoxyphenyl)-4-amino-1H-pyrazole-5-carboxamide
CID 63101953
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
(3,4-dimethoxyphenyl)urea
CID 21197430

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide (CID 110860648) is N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2[nH]ncc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is XUZGNLYDHMKFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-7-14-16-12(8)13(17)15-9-4-5-10(18-2)11(6-9)19-3/h4-7H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide?
N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110860648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).