3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol

C12H15N3O — CID 19627468

IUPAC3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
SMILESCn1ccc(CNCc2cccc(O)c2)n1
InChIInChI=1S/C12H15N3O/c1-15-6-5-11(14-15)9-13-8-10-3-2-4-12(16)7-10/h2-7,13,16H,8-9H2,1H3
InChIKeyPTOSYGKHGUZQHU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.42
Rot. Bonds4

About 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol

3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol (PubChem CID 19627468) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
PubChem CID19627468
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
SMILESCn1ccc(CNCc2cccc(O)c2)n1
InChIInChI=1S/C12H15N3O/c1-15-6-5-11(14-15)9-13-8-10-3-2-4-12(16)7-10/h2-7,13,16H,8-9H2,1H3
InChIKeyPTOSYGKHGUZQHU-UHFFFAOYSA-N
XLogP1.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
CID 126966507
N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 19618959
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112549452
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2-methoxy-5-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 115320187
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol (CID 19627468) is 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol is Cn1ccc(CNCc2cccc(O)c2)n1.
What is the InChIKey of 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol?
The InChIKey is PTOSYGKHGUZQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-6-5-11(14-15)9-13-8-10-3-2-4-12(16)7-10/h2-7,13,16H,8-9H2,1H3.
What are the key properties of 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol?
3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 19627468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).