2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine

C9H17N5 — CID 103859760

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/Cc1cnn(C)c1C
InChIInChI=1S/C9H17N5/c1-4-11-9(10)12-5-8-6-13-14(3)7(8)2/h6H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyFTMZTMZRVKHLON-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.15
Rot. Bonds3

About 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine

2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine (PubChem CID 103859760) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine
PubChem CID103859760
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/Cc1cnn(C)c1C
InChIInChI=1S/C9H17N5/c1-4-11-9(10)12-5-8-6-13-14(3)7(8)2/h6H,4-5H2,1-3H3,(H3,10,11,12)
InChIKeyFTMZTMZRVKHLON-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
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

N'-[(1,5-dimethylpyrazol-4-yl)methyl]butanimidamide
CID 106043179
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 106043175
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
4-(azidomethyl)-1,5-dimethylpyrazole
CID 150005972
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine (CID 103859760) is 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine is CCN/C(N)=N/Cc1cnn(C)c1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine?
The InChIKey is FTMZTMZRVKHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-11-9(10)12-5-8-6-13-14(3)7(8)2/h6H,4-5H2,1-3H3,(H3,10,11,12).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine?
2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine has a molecular weight of 195.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethylguanidine is sourced from PubChem (CID 103859760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).