1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine

C10H17N5 — CID 110030426

IUPAC1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
SMILESCN(/C(N)=N/CCn1cccn1)C1CC1
InChIInChI=1S/C10H17N5/c1-14(9-3-4-9)10(11)12-6-8-15-7-2-5-13-15/h2,5,7,9H,3-4,6,8H2,1H3,(H2,11,12)
InChIKeyPPTBTPPGMZNXFG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.29
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine

1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 110030426) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
PubChem CID110030426
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
SMILESCN(/C(N)=N/CCn1cccn1)C1CC1
InChIInChI=1S/C10H17N5/c1-14(9-3-4-9)10(11)12-6-8-15-7-2-5-13-15/h2,5,7,9H,3-4,6,8H2,1H3,(H2,11,12)
InChIKeyPPTBTPPGMZNXFG-UHFFFAOYSA-N
XLogP0.29
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.29
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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Related Compounds

1-cyclopropyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 62361824
4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110920838
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
CID 79115977
1-(3,4-dihydro-2H-chromen-4-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 119140884
1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505
1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110920836
1-cyclopropyl-1-methyl-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 110031501
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethyl]-1-cyclopropyl-1-methylguanidine
CID 122096951
1-cyclopropyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-methylguanidine;hydroiodide
CID 110030520
1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110912588

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine (CID 110030426) is 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine is CN(/C(N)=N/CCn1cccn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is PPTBTPPGMZNXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-14(9-3-4-9)10(11)12-6-8-15-7-2-5-13-15/h2,5,7,9H,3-4,6,8H2,1H3,(H2,11,12).
What are the key properties of 1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine?
1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.29, 4 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-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 110030426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).