N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine

C19H21N3 — CID 1096826

IUPACN-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-15-8-10-17(11-9-15)19-18(12-20-21-19)14-22(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyIONDIFPOHMGVIT-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.02
Rot. Bonds5

About N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine

N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 1096826) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID1096826
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-15-8-10-17(11-9-15)19-18(12-20-21-19)14-22(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,20,21)
InChIKeyIONDIFPOHMGVIT-UHFFFAOYSA-N
XLogP4.02
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1H-pyrazole
CID 17155
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
3-Methyl-4-phenylpyrazol
CID 139601
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-benzhydryl-1H-pyrazole
CID 2806015
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
Fezolamine
CID 54567
2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 11196322
4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
CID 11738219
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine (CID 1096826) is N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine is Cc1ccc(-c2[nH]ncc2CN(C)Cc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is IONDIFPOHMGVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-15-8-10-17(11-9-15)19-18(12-20-21-19)14-22(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine?
N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 291.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 1096826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).