N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide

C13H16N4O2 — CID 43548610

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cc(N)ccc2O)cnn1C
InChIInChI=1S/C13H16N4O2/c1-8-11(7-16-17(8)2)13(19)15-6-9-5-10(14)3-4-12(9)18/h3-5,7,18H,6,14H2,1-2H3,(H,15,19)
InChIKeyOOZJUZOMTSLCEN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.95
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 43548610) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID43548610
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cc(N)ccc2O)cnn1C
InChIInChI=1S/C13H16N4O2/c1-8-11(7-16-17(8)2)13(19)15-6-9-5-10(14)3-4-12(9)18/h3-5,7,18H,6,14H2,1-2H3,(H,15,19)
InChIKeyOOZJUZOMTSLCEN-UHFFFAOYSA-N
XLogP0.95
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)benzoicacid
CID 11516424
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]propanehydrazide
CID 135517054
4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-1-methyl-N-phenyl-1H-pyrazole-5-carboxamide
CID 657770
4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-1-methyl-1H-pyrazole-5-carboxamide
CID 915276
2-Hydroxy-5-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624675
1-[1-(4-Hydroxyphenyl)-5-methylpyrazol-4-yl]butan-1-one
CID 118711198
4-Amino-2-(pyrazol-1-ylmethyl)phenol;dihydrochloride
CID 145987874
N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 28742932
n-(3-(1h-Pyrazol-1-yl)propyl)-2-hydroxybenzamide
CID 37394176
5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide
CID 71860641
N-[1-(2-hydroxyphenyl)propyl]-3-pyrazol-1-ylpropanamide
CID 75393431

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide (CID 43548610) is N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cc(N)ccc2O)cnn1C.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OOZJUZOMTSLCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-11(7-16-17(8)2)13(19)15-6-9-5-10(14)3-4-12(9)18/h3-5,7,18H,6,14H2,1-2H3,(H,15,19).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 43548610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).