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

C18H27N3 — CID 79224020

IUPAC3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(C)nn(Cc2cccc(C)c2)c1C
InChIInChI=1S/C18H27N3/c1-13-7-6-8-17(9-13)12-21-16(4)18(15(3)20-21)10-14(2)11-19-5/h6-9,14,19H,10-12H2,1-5H3
InChIKeyUKUJOJPYCUAFKV-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.25
Rot. Bonds6

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

3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine (PubChem CID 79224020) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine
PubChem CID79224020
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1c(C)nn(Cc2cccc(C)c2)c1C
InChIInChI=1S/C18H27N3/c1-13-7-6-8-17(9-13)12-21-16(4)18(15(3)20-21)10-14(2)11-19-5/h6-9,14,19H,10-12H2,1-5H3
InChIKeyUKUJOJPYCUAFKV-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62730775
N-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 43648088
1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647688
3-[[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]methyl]benzonitrile
CID 43647689
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-[(2R)-butan-2-yl]-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 29057298
1-butan-2-yl-3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17249732
2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19346727
N-[[3,5-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 102877955
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-phenylthiourea
CID 19344248
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824594

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine (CID 79224020) is 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine is CNCC(C)Cc1c(C)nn(Cc2cccc(C)c2)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is UKUJOJPYCUAFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13-7-6-8-17(9-13)12-21-16(4)18(15(3)20-21)10-14(2)11-19-5/h6-9,14,19H,10-12H2,1-5H3.
What are the key properties of 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine?
3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79224020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).