1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

C18H27N3 — CID 64771393

IUPAC1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H27N3/c1-13(2)21-9-8-17(20-21)12-18(19-5)11-16-7-6-14(3)15(4)10-16/h6-10,13,18-19H,11-12H2,1-5H3
InChIKeyYRQMWHIPUJJTCP-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.45
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64771393) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID64771393
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCNC(Cc1ccc(C)c(C)c1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C18H27N3/c1-13(2)21-9-8-17(20-21)12-18(19-5)11-16-7-6-14(3)15(4)10-16/h6-10,13,18-19H,11-12H2,1-5H3
InChIKeyYRQMWHIPUJJTCP-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154784
1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64773333
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
[1-(3,4-difluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105312820
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 64783754
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 104801904
1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83174739
1-(3,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025553
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
CID 105154860
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (CID 64771393) is 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is CNC(Cc1ccc(C)c(C)c1)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is YRQMWHIPUJJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)21-9-8-17(20-21)12-18(19-5)11-16-7-6-14(3)15(4)10-16/h6-10,13,18-19H,11-12H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64771393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).