N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C11H11N3O3 — CID 71601258

IUPACN-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NO)[nH]n1
InChIInChI=1S/C11H11N3O3/c1-17-10-5-3-2-4-7(10)8-6-9(13-12-8)11(15)14-16/h2-6,16H,1H3,(H,12,13)(H,14,15)
InChIKeyPDTMRLXZUGQXOX-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.20
Rot. Bonds3

About N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 71601258) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID71601258
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NO)[nH]n1
InChIInChI=1S/C11H11N3O3/c1-17-10-5-3-2-4-7(10)8-6-9(13-12-8)11(15)14-16/h2-6,16H,1H3,(H,12,13)(H,14,15)
InChIKeyPDTMRLXZUGQXOX-UHFFFAOYSA-N
XLogP1.20
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 110000867
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
N-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 86786743
3-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 121084015
N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 99821335
3-(2-methoxyphenyl)-N-(2-methyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 75512411
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 117107083

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 71601258) is N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NO)[nH]n1.
What is the InChIKey of N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PDTMRLXZUGQXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-10-5-3-2-4-7(10)8-6-9(13-12-8)11(15)14-16/h2-6,16H,1H3,(H,12,13)(H,14,15).
What are the key properties of N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71601258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).