2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol

C15H21N3O — CID 112554057

IUPAC2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
SMILESCc1cccc(CNCCCc2cn[nH]c2C)c1O
InChIInChI=1S/C15H21N3O/c1-11-5-3-6-14(15(11)19)9-16-8-4-7-13-10-17-18-12(13)2/h3,5-6,10,16,19H,4,7-9H2,1-2H3,(H,17,18)
InChIKeyFMAAJOPDQWPZGJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.45
Rot. Bonds6

About 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol

2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol (PubChem CID 112554057) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
PubChem CID112554057
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
SMILESCc1cccc(CNCCCc2cn[nH]c2C)c1O
InChIInChI=1S/C15H21N3O/c1-11-5-3-6-14(15(11)19)9-16-8-4-7-13-10-17-18-12(13)2/h3,5-6,10,16,19H,4,7-9H2,1-2H3,(H,17,18)
InChIKeyFMAAJOPDQWPZGJ-UHFFFAOYSA-N
XLogP2.45
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953159
N-[(2,3-difluorophenyl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 63668247
2-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzonitrile
CID 103851222
2-(butylaminomethyl)-6-methylphenol
CID 82669937
3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648893
N-[[3-(difluoromethyl)phenyl]methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 115526450
2-methyl-6-[(3-methylsulfinylpropylamino)methyl]phenol
CID 115907587
2-methyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 115924245
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 60761958
2-methyl-6-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 112554978
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol (CID 112554057) is 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol is Cc1cccc(CNCCCc2cn[nH]c2C)c1O.
What is the InChIKey of 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
The InChIKey is FMAAJOPDQWPZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-5-3-6-14(15(11)19)9-16-8-4-7-13-10-17-18-12(13)2/h3,5-6,10,16,19H,4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol?
2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol is sourced from PubChem (CID 112554057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).