1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine

C15H27N5 — CID 75375891

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccn(C(C)C)n1)NC1CC1C
InChIInChI=1S/C15H27N5/c1-5-16-15(18-14-10-12(14)4)17-8-6-13-7-9-20(19-13)11(2)3/h7,9,11-12,14H,5-6,8,10H2,1-4H3,(H2,16,17,18)
InChIKeyIWYNHOSUYXUPEF-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.97
Rot. Bonds6

About 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine (PubChem CID 75375891) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine
PubChem CID75375891
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccn(C(C)C)n1)NC1CC1C
InChIInChI=1S/C15H27N5/c1-5-16-15(18-14-10-12(14)4)17-8-6-13-7-9-20(19-13)11(2)3/h7,9,11-12,14H,5-6,8,10H2,1-4H3,(H2,16,17,18)
InChIKeyIWYNHOSUYXUPEF-UHFFFAOYSA-N
XLogP1.97
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine (CID 75375891) is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine is CCN/C(=N\CCc1ccn(C(C)C)n1)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine?
The InChIKey is IWYNHOSUYXUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-16-15(18-14-10-12(14)4)17-8-6-13-7-9-20(19-13)11(2)3/h7,9,11-12,14H,5-6,8,10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine has a molecular weight of 277.42 g/mol, XLogP of 1.97, 6 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-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 75375891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).