4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine

C11H13N4O- — CID 140961395

IUPAC4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine
SMILESCCn1cc(-c2ccc(N)c(N[O-])c2)cn1
InChIInChI=1S/C11H13N4O/c1-2-15-7-9(6-13-15)8-3-4-10(12)11(5-8)14-16/h3-7,14H,2,12H2,1H3/q-1
InChIKeyDGMNCKMIEKUINZ-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.06
Rot. Bonds3

About 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine

4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine (PubChem CID 140961395) has the molecular formula C11H13N4O- and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine
PubChem CID140961395
Molecular FormulaC11H13N4O-
Molecular Weight217.25 g/mol
Exact Mass217.11
IUPAC Name4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine
SMILESCCn1cc(-c2ccc(N)c(N[O-])c2)cn1
InChIInChI=1S/C11H13N4O/c1-2-15-7-9(6-13-15)8-3-4-10(12)11(5-8)14-16/h3-7,14H,2,12H2,1H3/q-1
InChIKeyDGMNCKMIEKUINZ-UHFFFAOYSA-N
XLogP2.06
TPSA78.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine
CID 129261271
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
1-[2-chloro-4-(1-ethylpyrazol-4-yl)phenyl]ethanamine
CID 82783612
[3-(1-ethylpyrazol-4-yl)phenyl]boronic acid
CID 130141673
methyl 4-amino-3-(1-ethylpyrazol-4-yl)benzoate
CID 156613093
5-(1-ethylpyrazol-4-yl)-2-methylpyridine
CID 58399288
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 106878454
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine
CID 129246134
3-chloro-4-(1-ethylpyrazol-4-yl)aniline
CID 107615727
5-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 64985311
2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol
CID 166638798

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine (CID 140961395) is 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine is CCn1cc(-c2ccc(N)c(N[O-])c2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine?
The InChIKey is DGMNCKMIEKUINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N4O/c1-2-15-7-9(6-13-15)8-3-4-10(12)11(5-8)14-16/h3-7,14H,2,12H2,1H3/q-1.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine?
4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine has a molecular weight of 217.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-2-N-oxidobenzene-1,2-diamine is sourced from PubChem (CID 140961395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).