N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine

C8H14N4O — CID 174305472

IUPACN-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine
SMILESCCc1cn[nH]c1NCCC=NO
InChIInChI=1S/C8H14N4O/c1-2-7-6-10-12-8(7)9-4-3-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12)
InChIKeyBCACCIKFQHNQPX-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.23
Rot. Bonds5

About N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine

N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine (PubChem CID 174305472) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine
PubChem CID174305472
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine
SMILESCCc1cn[nH]c1NCCC=NO
InChIInChI=1S/C8H14N4O/c1-2-7-6-10-12-8(7)9-4-3-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12)
InChIKeyBCACCIKFQHNQPX-UHFFFAOYSA-N
XLogP1.23
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine?
The IUPAC name of N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine (CID 174305472) is N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine.
What is the SMILES notation for N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine?
The canonical SMILES for N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine is CCc1cn[nH]c1NCCC=NO.
What is the InChIKey of N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine?
The InChIKey is BCACCIKFQHNQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-7-6-10-12-8(7)9-4-3-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12).
What are the key properties of N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine?
N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine has a molecular weight of 182.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethyl-1H-pyrazol-5-yl)amino]propylidene]hydroxylamine is sourced from PubChem (CID 174305472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).