1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine

C11H16F3N5 — CID 110031743

IUPAC1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
SMILESCN(/C(N)=N/Cc1cn(C)nc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3N5/c1-18-6-7(9(17-18)11(12,13)14)5-16-10(15)19(2)8-3-4-8/h6,8H,3-5H2,1-2H3,(H2,15,16)
InChIKeyMWHKQRSBUZKGPT-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.35
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine

1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine (PubChem CID 110031743) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
PubChem CID110031743
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine
SMILESCN(/C(N)=N/Cc1cn(C)nc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3N5/c1-18-6-7(9(17-18)11(12,13)14)5-16-10(15)19(2)8-3-4-8/h6,8H,3-5H2,1-2H3,(H2,15,16)
InChIKeyMWHKQRSBUZKGPT-UHFFFAOYSA-N
XLogP1.35
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
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-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine (CID 110031743) is 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine is CN(/C(N)=N/Cc1cn(C)nc1C(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine?
The InChIKey is MWHKQRSBUZKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-18-6-7(9(17-18)11(12,13)14)5-16-10(15)19(2)8-3-4-8/h6,8H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine?
1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine has a molecular weight of 275.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]guanidine is sourced from PubChem (CID 110031743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).