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

C19H21N3 — CID 3915663

IUPAC1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCc1ccc(CNCc2cn[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3/c1-14-3-7-16(8-4-14)11-20-12-18-13-21-22-19(18)17-9-5-15(2)6-10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyDKLMBDNLCRYFCH-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.98
Rot. Bonds5

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

1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 3915663) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID3915663
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCc1ccc(CNCc2cn[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3/c1-14-3-7-16(8-4-14)11-20-12-18-13-21-22-19(18)17-9-5-15(2)6-10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyDKLMBDNLCRYFCH-UHFFFAOYSA-N
XLogP3.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 3915663) is 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine is Cc1ccc(CNCc2cn[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is DKLMBDNLCRYFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-3-7-16(8-4-14)11-20-12-18-13-21-22-19(18)17-9-5-15(2)6-10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 291.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 3915663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).