[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine

C15H21N3O — CID 82484193

IUPAC[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCc1cc(-c2n[nH]c(C)c2CN)ccc1OC(C)C
InChIInChI=1S/C15H21N3O/c1-9(2)19-14-6-5-12(7-10(14)3)15-13(8-16)11(4)17-18-15/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyKYYFZMHTRUUPBO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds4

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

[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 82484193) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID82484193
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCc1cc(-c2n[nH]c(C)c2CN)ccc1OC(C)C
InChIInChI=1S/C15H21N3O/c1-9(2)19-14-6-5-12(7-10(14)3)15-13(8-16)11(4)17-18-15/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyKYYFZMHTRUUPBO-UHFFFAOYSA-N
XLogP2.94
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850935
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508
[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]methanamine
CID 82477540
2-[2-methyl-4-(3-methyl-4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95475893
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
N-[[5-methyl-3-(3-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850933
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
2-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrrole-3-carboxylic acid
CID 82306686
[3-[(3,4-dimethylphenoxy)methyl]-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850784
[4-(3-chloro-4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82304284

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine (CID 82484193) is [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine is Cc1cc(-c2n[nH]c(C)c2CN)ccc1OC(C)C.
What is the InChIKey of [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is KYYFZMHTRUUPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9(2)19-14-6-5-12(7-10(14)3)15-13(8-16)11(4)17-18-15/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine?
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 82484193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).