1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

C14H25N5 — CID 111952321

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)NC1CC1C
InChIInChI=1S/C14H25N5/c1-6-15-14(17-13-7-9(13)2)16-8-12-10(3)18-19(5)11(12)4/h9,13H,6-8H2,1-5H3,(H2,15,16,17)
InChIKeySHGBRGLJLSTVPU-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.50
Rot. Bonds4

About 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (PubChem CID 111952321) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
PubChem CID111952321
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)NC1CC1C
InChIInChI=1S/C14H25N5/c1-6-15-14(17-13-7-9(13)2)16-8-12-10(3)18-19(5)11(12)4/h9,13H,6-8H2,1-5H3,(H2,15,16,17)
InChIKeySHGBRGLJLSTVPU-UHFFFAOYSA-N
XLogP1.50
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.50
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

1,3-diethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111465939
1-(cyclooctylmethyl)-3-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951288
1-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952681
1-ethyl-3-prop-2-ynyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111950612
1-ethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111950939
1-ethyl-3-(2-methylsulfanylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111785408
1-(2-bromoprop-2-enyl)-3-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 119151592
1-ethyl-3-(4-methylpentyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111951171
1-ethyl-3-(2-ethylsulfonylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951784
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111255887
1-ethyl-3-(4-pyrrolidin-1-ylbutyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952253
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-ethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111951967

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (CID 111952321) is 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1c(C)nn(C)c1C)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The InChIKey is SHGBRGLJLSTVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-6-15-14(17-13-7-9(13)2)16-8-12-10(3)18-19(5)11(12)4/h9,13H,6-8H2,1-5H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine has a molecular weight of 263.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 111952321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).