N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide

C9H16N4O — CID 10774272

IUPACN-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide
SMILESCC/C(=N/c1[nH]ncc1C(C)C)NO
InChIInChI=1S/C9H16N4O/c1-4-8(13-14)11-9-7(6(2)3)5-10-12-9/h5-6,14H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRGVNESXCXWZHOS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.95
Rot. Bonds3

About N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide

N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide (PubChem CID 10774272) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide
PubChem CID10774272
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide
SMILESCC/C(=N/c1[nH]ncc1C(C)C)NO
InChIInChI=1S/C9H16N4O/c1-4-8(13-14)11-9-7(6(2)3)5-10-12-9/h5-6,14H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRGVNESXCXWZHOS-UHFFFAOYSA-N
XLogP1.95
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide?
The IUPAC name of N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide (CID 10774272) is N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide.
What is the SMILES notation for N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide?
The canonical SMILES for N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide is CC/C(=N/c1[nH]ncc1C(C)C)NO.
What is the InChIKey of N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide?
The InChIKey is RGVNESXCXWZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-8(13-14)11-9-7(6(2)3)5-10-12-9/h5-6,14H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide?
N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide has a molecular weight of 196.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-propan-2-yl-1H-pyrazol-5-yl)propanimidamide is sourced from PubChem (CID 10774272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).