4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine

C14H17N4O2- — CID 163920758

IUPAC4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine
SMILESCON([O-])c1cc(-c2cnn(CC3CC3)c2)ccc1N
InChIInChI=1S/C14H17N4O2/c1-20-18(19)14-6-11(4-5-13(14)15)12-7-16-17(9-12)8-10-2-3-10/h4-7,9-10H,2-3,8,15H2,1H3/q-1
InChIKeyHSIRVXXEYNAWJT-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.41
Rot. Bonds5

About 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine

4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine (PubChem CID 163920758) has the molecular formula C14H17N4O2- and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine
PubChem CID163920758
Molecular FormulaC14H17N4O2-
Molecular Weight273.32 g/mol
Exact Mass273.14
IUPAC Name4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine
SMILESCON([O-])c1cc(-c2cnn(CC3CC3)c2)ccc1N
InChIInChI=1S/C14H17N4O2/c1-20-18(19)14-6-11(4-5-13(14)15)12-7-16-17(9-12)8-10-2-3-10/h4-7,9-10H,2-3,8,15H2,1H3/q-1
InChIKeyHSIRVXXEYNAWJT-UHFFFAOYSA-N
XLogP2.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine
CID 129246134
6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753
2-[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methoxyphenyl]acetonitrile
CID 175670329
4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-phenylmethoxyaniline
CID 171921778
[2-amino-5-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]phenyl]-oxidoazanium
CID 140961408
5-[1-(cyclobutylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 166624876
N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine
CID 129261271
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
CID 163201424
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
CID 166637809
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzaldehyde
CID 172994007
tert-butyl 4-[[4-(2-amino-4-pyridinyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166513769

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine?
The IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine (CID 163920758) is 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine is CON([O-])c1cc(-c2cnn(CC3CC3)c2)ccc1N.
What is the InChIKey of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine?
The InChIKey is HSIRVXXEYNAWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N4O2/c1-20-18(19)14-6-11(4-5-13(14)15)12-7-16-17(9-12)8-10-2-3-10/h4-7,9-10H,2-3,8,15H2,1H3/q-1.
What are the key properties of 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine?
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine has a molecular weight of 273.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-N-methoxy-2-N-oxidobenzene-1,2-diamine is sourced from PubChem (CID 163920758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).