4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline

C20H19N5 — CID 91472752

IUPAC4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
SMILESCc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1
InChIInChI=1S/C20H19N5/c1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25/h3-14,23H,1-2H3
InChIKeyPPICQPRJBHQQBM-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.42
Rot. Bonds4

About 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline

4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline (PubChem CID 91472752) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
PubChem CID91472752
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline
SMILESCc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1
InChIInChI=1S/C20H19N5/c1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25/h3-14,23H,1-2H3
InChIKeyPPICQPRJBHQQBM-UHFFFAOYSA-N
XLogP4.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)aniline
CID 7064033
N-methyl-2-(3-phenyl-1H-pyrazol-1-yl)aniline
CID 869424
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16187528
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16188374
N-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-pyrazin-2-ylpropan-2-amine
CID 16190294
N-{[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-3-(1H-pyrazol-1-yl)propan-1-amine
CID 16190821
N-methyl-N-{[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-4-yl)ethanamine
CID 16191671
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192289
(1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine
CID 44543086
4-(1-methyl-3-pyrrolidinyl)-1-[3-(1H-pyrazol-1-yl)benzyl]piperidine
CID 45245513

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
The IUPAC name of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline (CID 91472752) is 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline is Cc1ccc(Nc2ccc(C)cc2-n2cccn2)c(-n2cccn2)c1.
What is the InChIKey of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
The InChIKey is PPICQPRJBHQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-15-5-7-17(19(13-15)24-11-3-9-21-24)23-18-8-6-16(2)14-20(18)25-12-4-10-22-25/h3-14,23H,1-2H3.
What are the key properties of 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline?
4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline has a molecular weight of 329.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 91472752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).