[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine

C15H21N3 — CID 82478236

IUPAC[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCCC(C)c1ccc(-c2cc(CN)nn2C)cc1
InChIInChI=1S/C15H21N3/c1-4-11(2)12-5-7-13(8-6-12)15-9-14(10-16)17-18(15)3/h5-9,11H,4,10,16H2,1-3H3
InChIKeyGGMVEVFAVPUUFP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.06
Rot. Bonds4

About [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine

[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 82478236) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
PubChem CID82478236
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCCC(C)c1ccc(-c2cc(CN)nn2C)cc1
InChIInChI=1S/C15H21N3/c1-4-11(2)12-5-7-13(8-6-12)15-9-14(10-16)17-18(15)3/h5-9,11H,4,10,16H2,1-3H3
InChIKeyGGMVEVFAVPUUFP-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-butan-2-ylphenyl)-N-cyclopropyl-1-methylpyrazol-3-amine
CID 116827540
[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
CID 82049017
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82072386
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107663593
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
[1-(2,3-dimethylphenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072619

Frequently Asked Questions

What is the IUPAC name of [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine (CID 82478236) is [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine is CCC(C)c1ccc(-c2cc(CN)nn2C)cc1.
What is the InChIKey of [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is GGMVEVFAVPUUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-11(2)12-5-7-13(8-6-12)15-9-14(10-16)17-18(15)3/h5-9,11H,4,10,16H2,1-3H3.
What are the key properties of [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82478236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).