1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine

C23H25N5 — CID 54669704

IUPAC1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine
SMILESCCn1cc(CNCc2cn(-c3cccc(C)c3)nc2-c2ccccc2)cn1
InChIInChI=1S/C23H25N5/c1-3-27-16-19(14-25-27)13-24-15-21-17-28(22-11-7-8-18(2)12-22)26-23(21)20-9-5-4-6-10-20/h4-12,14,16-17,24H,3,13,15H2,1-2H3
InChIKeyZKLCSFUXGPBFPJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.35
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine

1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine (PubChem CID 54669704) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine
PubChem CID54669704
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine
SMILESCCn1cc(CNCc2cn(-c3cccc(C)c3)nc2-c2ccccc2)cn1
InChIInChI=1S/C23H25N5/c1-3-27-16-19(14-25-27)13-24-15-21-17-28(22-11-7-8-18(2)12-22)26-23(21)20-9-5-4-6-10-20/h4-12,14,16-17,24H,3,13,15H2,1-2H3
InChIKeyZKLCSFUXGPBFPJ-UHFFFAOYSA-N
XLogP4.35
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine 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-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325028
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518597
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(1-methylbenzimidazol-5-yl)methanamine
CID 71906904
1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine
CID 167980095
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124800161

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine (CID 54669704) is 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine is CCn1cc(CNCc2cn(-c3cccc(C)c3)nc2-c2ccccc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine?
The InChIKey is ZKLCSFUXGPBFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-3-27-16-19(14-25-27)13-24-15-21-17-28(22-11-7-8-18(2)12-22)26-23(21)20-9-5-4-6-10-20/h4-12,14,16-17,24H,3,13,15H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine?
1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine has a molecular weight of 371.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[[1-(3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 54669704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).