2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine

C9H17N5 — CID 107463459

IUPAC2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine
SMILESCC/N=C(\N)Nc1cn(C)nc1CC
InChIInChI=1S/C9H17N5/c1-4-7-8(6-14(3)13-7)12-9(10)11-5-2/h6H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyQAWFQOXUSMDANX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.73
Rot. Bonds3

About 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine

2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine (PubChem CID 107463459) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine
PubChem CID107463459
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine
SMILESCC/N=C(\N)Nc1cn(C)nc1CC
InChIInChI=1S/C9H17N5/c1-4-7-8(6-14(3)13-7)12-9(10)11-5-2/h6H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyQAWFQOXUSMDANX-UHFFFAOYSA-N
XLogP0.73
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
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-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
CID 107463151
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107462239
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine?
The IUPAC name of 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine (CID 107463459) is 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine?
The canonical SMILES for 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine is CC/N=C(\N)Nc1cn(C)nc1CC.
What is the InChIKey of 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine?
The InChIKey is QAWFQOXUSMDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-7-8(6-14(3)13-7)12-9(10)11-5-2/h6H,4-5H2,1-3H3,(H3,10,11,12).
What are the key properties of 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine?
2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine has a molecular weight of 195.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine is sourced from PubChem (CID 107463459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).