N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

C15H21N3 — CID 22196210

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2cn(C)nc2C)cc1
InChIInChI=1S/C15H21N3/c1-12-5-7-14(8-6-12)9-17(3)10-15-11-18(4)16-13(15)2/h5-8,11H,9-10H2,1-4H3
InChIKeyMMYOUCWWCUUSMY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 22196210) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID22196210
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CN(C)Cc2cn(C)nc2C)cc1
InChIInChI=1S/C15H21N3/c1-12-5-7-14(8-6-12)9-17(3)10-15-11-18(4)16-13(15)2/h5-8,11H,9-10H2,1-4H3
InChIKeyMMYOUCWWCUUSMY-UHFFFAOYSA-N
XLogP2.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 28768086
(2S)-2-[4-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]phenoxy]propanoic acid
CID 99959910
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
N-cyclopropyl-N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 102801488
2-[4-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]phenyl]-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154891942
4-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-(4-fluorophenyl)-1H-imidazole-2-thione
CID 71117672
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
CID 22771446
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 22196319
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-propylbenzenesulfonamide
CID 22771421
1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
CID 42527594

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 22196210) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is Cc1ccc(CN(C)Cc2cn(C)nc2C)cc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is MMYOUCWWCUUSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-5-7-14(8-6-12)9-17(3)10-15-11-18(4)16-13(15)2/h5-8,11H,9-10H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 22196210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).