[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine

C12H15N3O — CID 54851145

IUPAC[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccc(-c2n[nH]c(C)c2CN)cc1
InChIInChI=1S/C12H15N3O/c1-8-11(7-13)12(15-14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyKRSZBGCVEGRWCV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds3

About [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine

[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine (PubChem CID 54851145) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
PubChem CID54851145
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCOc1ccc(-c2n[nH]c(C)c2CN)cc1
InChIInChI=1S/C12H15N3O/c1-8-11(7-13)12(15-14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyKRSZBGCVEGRWCV-UHFFFAOYSA-N
XLogP1.85
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine (CID 54851145) is [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine is COc1ccc(-c2n[nH]c(C)c2CN)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The InChIKey is KRSZBGCVEGRWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-11(7-13)12(15-14-8)9-3-5-10(16-2)6-4-9/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 54851145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).