2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide

C10H18N4 — CID 63178206

IUPAC2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide
SMILESCC(Cn1cccn1)/N=C(/N)C(C)C
InChIInChI=1S/C10H18N4/c1-8(2)10(11)13-9(3)7-14-6-4-5-12-14/h4-6,8-9H,7H2,1-3H3,(H2,11,13)
InChIKeyPIIZLPPKLKEQJY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide

2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide (PubChem CID 63178206) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide
PubChem CID63178206
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide
SMILESCC(Cn1cccn1)/N=C(/N)C(C)C
InChIInChI=1S/C10H18N4/c1-8(2)10(11)13-9(3)7-14-6-4-5-12-14/h4-6,8-9H,7H2,1-3H3,(H2,11,13)
InChIKeyPIIZLPPKLKEQJY-UHFFFAOYSA-N
XLogP1.28
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-pyrazol-1-ylbutan-2-ol
CID 142163216
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
3-methyl-1-pyrazol-1-ylbutane-2-thiol
CID 165469811
(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 109374296
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
CID 77031329
2-(pyrazol-1-ylmethyl)butan-1-ol
CID 142163209
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111070597
N'-(2-methyl-3-pyrazol-1-ylpropyl)azepane-1-carboximidamide;hydroiodide
CID 86779281
6-(1-pyrazol-1-ylpropan-2-ylamino)pyridazine-3-carboxamide
CID 79099266
1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111070558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide?
The IUPAC name of 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide (CID 63178206) is 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide is CC(Cn1cccn1)/N=C(/N)C(C)C.
What is the InChIKey of 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide?
The InChIKey is PIIZLPPKLKEQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)10(11)13-9(3)7-14-6-4-5-12-14/h4-6,8-9H,7H2,1-3H3,(H2,11,13).
What are the key properties of 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide?
2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1-pyrazol-1-ylpropan-2-yl)propanimidamide is sourced from PubChem (CID 63178206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).