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

C15H21N3O — CID 54847041

IUPAC[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2ccc(OCC(C)C)cc2)n[nH]c1CN
InChIInChI=1S/C15H21N3O/c1-10(2)9-19-13-6-4-12(5-7-13)15-11(3)14(8-16)17-18-15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyWRBWQRRWKXZEEY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.88
Rot. Bonds5

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

[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine (PubChem CID 54847041) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
PubChem CID54847041
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
SMILESCc1c(-c2ccc(OCC(C)C)cc2)n[nH]c1CN
InChIInChI=1S/C15H21N3O/c1-10(2)9-19-13-6-4-12(5-7-13)15-11(3)14(8-16)17-18-15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyWRBWQRRWKXZEEY-UHFFFAOYSA-N
XLogP2.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 83848092
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
ethyl 5-[4-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399278
[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95457468
[3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83850139
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine
CID 82192731

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine (CID 54847041) is [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine is Cc1c(-c2ccc(OCC(C)C)cc2)n[nH]c1CN.
What is the InChIKey of [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
The InChIKey is WRBWQRRWKXZEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)9-19-13-6-4-12(5-7-13)15-11(3)14(8-16)17-18-15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine?
[4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 54847041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).