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

C14H25N5 — CID 75375885

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccn(C(C)C)n1)NC1CC1C
InChIInChI=1S/C14H25N5/c1-5-15-14(17-13-8-11(13)4)16-9-12-6-7-19(18-12)10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3,(H2,15,16,17)
InChIKeyQMCBUIMHKUXICN-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.93
Rot. Bonds5

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

1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine (PubChem CID 75375885) 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-propan-2-ylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine
PubChem CID75375885
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccn(C(C)C)n1)NC1CC1C
InChIInChI=1S/C14H25N5/c1-5-15-14(17-13-8-11(13)4)16-9-12-6-7-19(18-12)10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3,(H2,15,16,17)
InChIKeyQMCBUIMHKUXICN-UHFFFAOYSA-N
XLogP1.93
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.93
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-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine (CID 75375885) is 1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1ccn(C(C)C)n1)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine?
The InChIKey is QMCBUIMHKUXICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-15-14(17-13-8-11(13)4)16-9-12-6-7-19(18-12)10(2)3/h6-7,10-11,13H,5,8-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]guanidine has a molecular weight of 263.39 g/mol, XLogP of 1.93, 5 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-propan-2-ylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 75375885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).