[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine

C15H21N3 — CID 82478232

IUPAC[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(-c2ccc(CC(C)C)cc2)c1CN
InChIInChI=1S/C15H21N3/c1-10(2)8-12-4-6-13(7-5-12)15-14(9-16)11(3)17-18-15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyOMDDOCOXPAVBRX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.04
Rot. Bonds4

About [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine

[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine (PubChem CID 82478232) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
PubChem CID82478232
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
SMILESCc1[nH]nc(-c2ccc(CC(C)C)cc2)c1CN
InChIInChI=1S/C15H21N3/c1-10(2)8-12-4-6-13(7-5-12)15-14(9-16)11(3)17-18-15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyOMDDOCOXPAVBRX-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
[3-(4-ethylsulfanylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82480014
[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]methanamine
CID 82477540
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 82484193
4-bromo-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 116858174
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850935
2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82489297
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
2-[4-bromo-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-5-yl]acetic acid
CID 84611223
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 95456243
N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine
CID 54851114

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine (CID 82478232) is [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine is Cc1[nH]nc(-c2ccc(CC(C)C)cc2)c1CN.
What is the InChIKey of [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine?
The InChIKey is OMDDOCOXPAVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)8-12-4-6-13(7-5-12)15-14(9-16)11(3)17-18-15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine?
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 82478232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).