N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine

C8H14N4O — CID 151272860

IUPACN-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine
SMILESCCCc1cn[nH]c1NCC=NO
InChIInChI=1S/C8H14N4O/c1-2-3-7-6-10-12-8(7)9-4-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12)
InChIKeyNWSVVGWCEOUOSI-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.23
Rot. Bonds5

About N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine

N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine (PubChem CID 151272860) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine
PubChem CID151272860
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine
SMILESCCCc1cn[nH]c1NCC=NO
InChIInChI=1S/C8H14N4O/c1-2-3-7-6-10-12-8(7)9-4-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12)
InChIKeyNWSVVGWCEOUOSI-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': '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-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?
The IUPAC name of N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine (CID 151272860) is N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?
The canonical SMILES for N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine is CCCc1cn[nH]c1NCC=NO.
What is the InChIKey of N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?
The InChIKey is NWSVVGWCEOUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-7-6-10-12-8(7)9-4-5-11-13/h5-6,13H,2-4H2,1H3,(H2,9,10,12).
What are the key properties of N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine?
N-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]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-[2-[(4-propyl-1H-pyrazol-5-yl)amino]ethylidene]hydroxylamine is sourced from PubChem (CID 151272860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).