1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine

C14H17N5 — CID 110916114

IUPAC1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(-n2cccn2)cc1)NC1CC1
InChIInChI=1S/C14H17N5/c15-14(18-12-4-5-12)16-10-11-2-6-13(7-3-11)19-9-1-8-17-19/h1-3,6-9,12H,4-5,10H2,(H3,15,16,18)
InChIKeyQQPJRVFJBXDCFY-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.44
Rot. Bonds4

About 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine

1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 110916114) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID110916114
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(-n2cccn2)cc1)NC1CC1
InChIInChI=1S/C14H17N5/c15-14(18-12-4-5-12)16-10-11-2-6-13(7-3-11)19-9-1-8-17-19/h1-3,6-9,12H,4-5,10H2,(H3,15,16,18)
InChIKeyQQPJRVFJBXDCFY-UHFFFAOYSA-N
XLogP1.44
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.44
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'}

Analyze 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063312
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111049820
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063314
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
1-(6-methylheptan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063330
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
1-(3,4-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063322
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
1-(4-butan-2-ylphenyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111063303

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (CID 110916114) is 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is N/C(=N\Cc1ccc(-n2cccn2)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is QQPJRVFJBXDCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-14(18-12-4-5-12)16-10-11-2-6-13(7-3-11)19-9-1-8-17-19/h1-3,6-9,12H,4-5,10H2,(H3,15,16,18).
What are the key properties of 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 255.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 110916114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).