2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine

C17H25N3 — CID 79225227

IUPAC2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(Cc2ccccc2C)c1C
InChIInChI=1S/C17H25N3/c1-12-8-6-7-9-16(12)11-20-15(4)17(14(3)19-20)13(2)10-18-5/h6-9,13,18H,10-11H2,1-5H3
InChIKeyVJBOMRBYBWDWIE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.18
Rot. Bonds5

About 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine

2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 79225227) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID79225227
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nn(Cc2ccccc2C)c1C
InChIInChI=1S/C17H25N3/c1-12-8-6-7-9-16(12)11-20-15(4)17(14(3)19-20)13(2)10-18-5/h6-9,13,18H,10-11H2,1-5H3
InChIKeyVJBOMRBYBWDWIE-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanoic acid
CID 63272364
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79224940
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 19577913
3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine
CID 79225297
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62446745
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114933991
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201863
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19534194
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 114799034
1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-phenylthiourea
CID 19342405

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine (CID 79225227) is 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nn(Cc2ccccc2C)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is VJBOMRBYBWDWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-8-6-7-9-16(12)11-20-15(4)17(14(3)19-20)13(2)10-18-5/h6-9,13,18H,10-11H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine?
2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 79225227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).