1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine

C22H28N4 — CID 8851232

IUPAC1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNCc1ccc(CN(C)C)cc1
InChIInChI=1S/C22H28N4/c1-17-22(18(2)26(24-17)21-8-6-5-7-9-21)15-23-14-19-10-12-20(13-11-19)16-25(3)4/h5-13,23H,14-16H2,1-4H3
InChIKeyJYHLODMQZBJNPT-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.84
Rot. Bonds7

About 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine

1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine (PubChem CID 8851232) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
PubChem CID8851232
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNCc1ccc(CN(C)C)cc1
InChIInChI=1S/C22H28N4/c1-17-22(18(2)26(24-17)21-8-6-5-7-9-21)15-23-14-19-10-12-20(13-11-19)16-25(3)4/h5-13,23H,14-16H2,1-4H3
InChIKeyJYHLODMQZBJNPT-UHFFFAOYSA-N
XLogP3.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine (CID 8851232) is 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine is Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(CN(C)C)cc1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is JYHLODMQZBJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-17-22(18(2)26(24-17)21-8-6-5-7-9-21)15-23-14-19-10-12-20(13-11-19)16-25(3)4/h5-13,23H,14-16H2,1-4H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine?
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 348.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 8851232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).