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

C15H21N3O — CID 54850935

IUPAC[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCCC(C)Oc1cccc(-c2n[nH]c(C)c2CN)c1
InChIInChI=1S/C15H21N3O/c1-4-10(2)19-13-7-5-6-12(8-13)15-14(9-16)11(3)17-18-15/h5-8,10H,4,9,16H2,1-3H3,(H,17,18)
InChIKeyWMTNSOBAUNIWTN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.02
Rot. Bonds5

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

[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine (PubChem CID 54850935) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
PubChem CID54850935
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
SMILESCCC(C)Oc1cccc(-c2n[nH]c(C)c2CN)c1
InChIInChI=1S/C15H21N3O/c1-4-10(2)19-13-7-5-6-12(8-13)15-14(9-16)11(3)17-18-15/h5-8,10H,4,9,16H2,1-3H3,(H,17,18)
InChIKeyWMTNSOBAUNIWTN-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-methyl-3-(3-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850933
[5-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 82484193
N-[[3-(3-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850659
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62329109
[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]methanamine
CID 82477540
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
ethyl 3-[3-(aminomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 70082508
3-butan-2-yloxybenzenediazonium
CID 82972983
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028

Frequently Asked Questions

What is the IUPAC name of [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine (CID 54850935) is [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine is CCC(C)Oc1cccc(-c2n[nH]c(C)c2CN)c1.
What is the InChIKey of [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
The InChIKey is WMTNSOBAUNIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-10(2)19-13-7-5-6-12(8-13)15-14(9-16)11(3)17-18-15/h5-8,10H,4,9,16H2,1-3H3,(H,17,18).
What are the key properties of [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine?
[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 54850935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).