N'-(1H-pyrazol-4-ylmethyl)propanimidamide

C7H12N4 — CID 63177896

IUPACN'-(1H-pyrazol-4-ylmethyl)propanimidamide
SMILESCC/C(N)=N\Cc1cn[nH]c1
InChIInChI=1S/C7H12N4/c1-2-7(8)9-3-6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyGINBRSHSUIBWGB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.68
Rot. Bonds3

About N'-(1H-pyrazol-4-ylmethyl)propanimidamide

N'-(1H-pyrazol-4-ylmethyl)propanimidamide (PubChem CID 63177896) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N'-(1H-pyrazol-4-ylmethyl)propanimidamide.

Molecular Properties

Compound NameN'-(1H-pyrazol-4-ylmethyl)propanimidamide
PubChem CID63177896
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN'-(1H-pyrazol-4-ylmethyl)propanimidamide
SMILESCC/C(N)=N\Cc1cn[nH]c1
InChIInChI=1S/C7H12N4/c1-2-7(8)9-3-6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11)
InChIKeyGINBRSHSUIBWGB-UHFFFAOYSA-N
XLogP0.68
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-pyrazol-4-ylmethyl)propanimidamide?
The IUPAC name of N'-(1H-pyrazol-4-ylmethyl)propanimidamide (CID 63177896) is N'-(1H-pyrazol-4-ylmethyl)propanimidamide.
What is the SMILES notation for N'-(1H-pyrazol-4-ylmethyl)propanimidamide?
The canonical SMILES for N'-(1H-pyrazol-4-ylmethyl)propanimidamide is CC/C(N)=N\Cc1cn[nH]c1.
What is the InChIKey of N'-(1H-pyrazol-4-ylmethyl)propanimidamide?
The InChIKey is GINBRSHSUIBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-7(8)9-3-6-4-10-11-5-6/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11).
What are the key properties of N'-(1H-pyrazol-4-ylmethyl)propanimidamide?
N'-(1H-pyrazol-4-ylmethyl)propanimidamide has a molecular weight of 152.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrazol-4-ylmethyl)propanimidamide is sourced from PubChem (CID 63177896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).