N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide

C7H12N4 — CID 10558800

IUPACN'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide
SMILESCCc1cc(/N=C(\C)N)n[nH]1
InChIInChI=1S/C7H12N4/c1-3-6-4-7(11-10-6)9-5(2)8/h4H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeySRVDJMFPTUKSHQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.98
Rot. Bonds2

About N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide

N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide (PubChem CID 10558800) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide
PubChem CID10558800
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC NameN'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide
SMILESCCc1cc(/N=C(\C)N)n[nH]1
InChIInChI=1S/C7H12N4/c1-3-6-4-7(11-10-6)9-5(2)8/h4H,3H2,1-2H3,(H3,8,9,10,11)
InChIKeySRVDJMFPTUKSHQ-UHFFFAOYSA-N
XLogP0.98
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.98
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'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide?
The IUPAC name of N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide (CID 10558800) is N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide.
What is the SMILES notation for N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide?
The canonical SMILES for N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide is CCc1cc(/N=C(\C)N)n[nH]1.
What is the InChIKey of N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide?
The InChIKey is SRVDJMFPTUKSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-6-4-7(11-10-6)9-5(2)8/h4H,3H2,1-2H3,(H3,8,9,10,11).
What are the key properties of N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide?
N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide has a molecular weight of 152.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1H-pyrazol-3-yl)ethanimidamide is sourced from PubChem (CID 10558800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).