1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine

C15H18N4 — CID 176729812

IUPAC1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
SMILESCn1cc(/C=N/c2ccccc2N2CCCC2)cn1
InChIInChI=1S/C15H18N4/c1-18-12-13(11-17-18)10-16-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,10-12H,4-5,8-9H2,1H3/b16-10+
InChIKeyCCDVRHHBGNFXRI-MHWRWJLKSA-N
MW254.34 g/mol
LogP2.77
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine

1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 176729812) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
PubChem CID176729812
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
SMILESCn1cc(/C=N/c2ccccc2N2CCCC2)cn1
InChIInChI=1S/C15H18N4/c1-18-12-13(11-17-18)10-16-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,10-12H,4-5,8-9H2,1H3/b16-10+
InChIKeyCCDVRHHBGNFXRI-MHWRWJLKSA-N
XLogP2.77
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine 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-Phenyl-1H-pyrazol-4-amine
CID 121021
1-Phenylpyrazole
CID 70769
1-benzyl-1H-pyrazol-4-amine
CID 206694
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
2-(1H-pyrazol-1-yl)aniline
CID 2779710
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608
1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
1-(4-Fluorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 17475863
1-((1-(4-fluorophenyl)-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 46228534
Pyrazole, 4-(dimethylamino)-1-phenyl-
CID 203872
Pyrazole, 1-benzyl-4-(methylamino)-
CID 206698

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine (CID 176729812) is 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine is Cn1cc(/C=N/c2ccccc2N2CCCC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is CCDVRHHBGNFXRI-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N4/c1-18-12-13(11-17-18)10-16-14-6-2-3-7-15(14)19-8-4-5-9-19/h2-3,6-7,10-12H,4-5,8-9H2,1H3/b16-10+.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 254.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 176729812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).