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

C19H21N3 — CID 3306064

IUPACN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine
SMILESCc1ccc(-c2[nH]ncc2CNC(C)c2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-14-8-10-17(11-9-14)19-18(13-21-22-19)12-20-15(2)16-6-4-3-5-7-16/h3-11,13,15,20H,12H2,1-2H3,(H,21,22)
InChIKeyRGJKXICTFNZMFK-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.24
Rot. Bonds5

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

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine (PubChem CID 3306064) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine
PubChem CID3306064
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine
SMILESCc1ccc(-c2[nH]ncc2CNC(C)c2ccccc2)cc1
InChIInChI=1S/C19H21N3/c1-14-8-10-17(11-9-14)19-18(13-21-22-19)12-20-15(2)16-6-4-3-5-7-16/h3-11,13,15,20H,12H2,1-2H3,(H,21,22)
InChIKeyRGJKXICTFNZMFK-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine?
The IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine (CID 3306064) is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine is Cc1ccc(-c2[nH]ncc2CNC(C)c2ccccc2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine?
The InChIKey is RGJKXICTFNZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-8-10-17(11-9-14)19-18(13-21-22-19)12-20-15(2)16-6-4-3-5-7-16/h3-11,13,15,20H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine?
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine has a molecular weight of 291.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 3306064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).