1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide

C18H17N3O3 — CID 90682255

IUPAC1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NO)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-15-9-7-14(8-10-15)16-11-17(18(22)20-23)21(19-16)12-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyCTCGNIKPOBDCBG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.73
Rot. Bonds5

About 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide

1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 90682255) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID90682255
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NO)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O3/c1-24-15-9-7-14(8-10-15)16-11-17(18(22)20-23)21(19-16)12-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H,20,22)
InChIKeyCTCGNIKPOBDCBG-UHFFFAOYSA-N
XLogP2.73
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[3-(3-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 175398280
1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871347
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]pyrazole-5-carboxamide
CID 44555488
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
N-benzyl-3-(2-isocyanoacetyl)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide
CID 20729576
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide (CID 90682255) is 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NO)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is CTCGNIKPOBDCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-15-9-7-14(8-10-15)16-11-17(18(22)20-23)21(19-16)12-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90682255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).