[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine

C15H21N3O2 — CID 82072386

IUPAC[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCCCOc1ccc(-c2cc(CN)nn2C)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-7-20-14-6-5-11(8-15(14)19-3)13-9-12(10-16)17-18(13)2/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyMTLLUTYYZBIRKE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.34
Rot. Bonds6

About [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine

[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 82072386) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
PubChem CID82072386
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCCCOc1ccc(-c2cc(CN)nn2C)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-7-20-14-6-5-11(8-15(14)19-3)13-9-12(10-16)17-18(13)2/h5-6,8-9H,4,7,10,16H2,1-3H3
InChIKeyMTLLUTYYZBIRKE-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-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

[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
[5-(4-methoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159588
[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 98022877
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
[5-(3,4-dimethoxyphenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072345
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975
5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine
CID 6917239
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine (CID 82072386) is [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine is CCCOc1ccc(-c2cc(CN)nn2C)cc1OC.
What is the InChIKey of [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is MTLLUTYYZBIRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-20-14-6-5-11(8-15(14)19-3)13-9-12(10-16)17-18(13)2/h5-6,8-9H,4,7,10,16H2,1-3H3.
What are the key properties of [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine?
[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 275.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82072386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).