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

C15H21N3 — CID 61271347

IUPACN-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C15H21N3/c1-11-5-7-14(8-6-11)10-18-13(3)15(9-17-18)12(2)16-4/h5-9,12,16H,10H2,1-4H3
InChIKeyYJZPRZSXFVUUDU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.83
Rot. Bonds4

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

N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine (PubChem CID 61271347) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine
PubChem CID61271347
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(Cc2ccc(C)cc2)c1C
InChIInChI=1S/C15H21N3/c1-11-5-7-14(8-6-11)10-18-13(3)15(9-17-18)12(2)16-4/h5-9,12,16H,10H2,1-4H3
InChIKeyYJZPRZSXFVUUDU-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole
CID 66438814
3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62039586
N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 63272233
N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
CID 62797525
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
CID 63278624
4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22209009
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
5-(methylamino)-1-[(4-methylphenyl)methyl]-6-oxopyridazine-4-carbaldehyde
CID 58506002
1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 79149820
2-[4-[1-(ethylamino)ethyl]-5-methylpyrazol-1-yl]acetic acid
CID 63277012

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine (CID 61271347) is N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine is CNC(C)c1cnn(Cc2ccc(C)cc2)c1C.
What is the InChIKey of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine?
The InChIKey is YJZPRZSXFVUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-5-7-14(8-6-11)10-18-13(3)15(9-17-18)12(2)16-4/h5-9,12,16H,10H2,1-4H3.
What are the key properties of N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine?
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.83, 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]ethanamine is sourced from PubChem (CID 61271347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).