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

C14H19N3 — CID 54982266

IUPACN-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCNCc1cnn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C14H19N3/c1-11-4-6-13(7-5-11)10-17-12(2)14(8-15-3)9-16-17/h4-7,9,15H,8,10H2,1-3H3
InChIKeyDKDMCEBRAINKMY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.27
Rot. Bonds4

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

N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine (PubChem CID 54982266) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
PubChem CID54982266
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCNCc1cnn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C14H19N3/c1-11-4-6-13(7-5-11)10-17-12(2)14(8-15-3)9-16-17/h4-7,9,15H,8,10H2,1-3H3
InChIKeyDKDMCEBRAINKMY-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine (CID 54982266) is N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine is CNCc1cnn(Cc2ccc(C)cc2)c1C.
What is the InChIKey of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is DKDMCEBRAINKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-6-13(7-5-11)10-17-12(2)14(8-15-3)9-16-17/h4-7,9,15H,8,10H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine?
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 54982266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).