1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine

C19H21N3 — CID 31738776

IUPAC1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C
InChIInChI=1S/C19H21N3/c1-14-9-10-18(15(2)11-14)19-16(12-20-3)13-22(21-19)17-7-5-4-6-8-17/h4-11,13,20H,12H2,1-3H3
InChIKeyUPWMDHMXYFLCOA-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.88
Rot. Bonds4

About 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine

1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 31738776) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
PubChem CID31738776
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C
InChIInChI=1S/C19H21N3/c1-14-9-10-18(15(2)11-14)19-16(12-20-3)13-22(21-19)17-7-5-4-6-8-17/h4-11,13,20H,12H2,1-3H3
InChIKeyUPWMDHMXYFLCOA-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 29198559
cyanomethyl 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7465547
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712
N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119629823
3-(2,4-dimethylphenyl)-N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 112772009
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
3-(2,4-dimethylphenyl)-1-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55619283
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60558022
3-(2,4-dimethylphenyl)-N-[3-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 112767352
methyl 4-[[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
CID 33234625
(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 47624262

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine (CID 31738776) is 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1C.
What is the InChIKey of 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is UPWMDHMXYFLCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-9-10-18(15(2)11-14)19-16(12-20-3)13-22(21-19)17-7-5-4-6-8-17/h4-11,13,20H,12H2,1-3H3.
What are the key properties of 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine?
1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 31738776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).