3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol

C11H13N3O — CID 19627574

IUPAC3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCn1cc(NCc2cccc(O)c2)cn1
InChIInChI=1S/C11H13N3O/c1-14-8-10(7-13-14)12-6-9-3-2-4-11(15)5-9/h2-5,7-8,12,15H,6H2,1H3
InChIKeyLWWINBZUPLQSCU-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.74
Rot. Bonds3

About 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol

3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 19627574) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
PubChem CID19627574
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCn1cc(NCc2cccc(O)c2)cn1
InChIInChI=1S/C11H13N3O/c1-14-8-10(7-13-14)12-6-9-3-2-4-11(15)5-9/h2-5,7-8,12,15H,6H2,1H3
InChIKeyLWWINBZUPLQSCU-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-methylpyrazol-4-yl)amino]methyl]benzonitrile
CID 43534977
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60931820
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
2-ethoxy-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43535020
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776698
2-ethoxy-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43534946
4-[[(1-methylpyrazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953341
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
3-[[4-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]phenol
CID 43686641

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol (CID 19627574) is 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol is Cn1cc(NCc2cccc(O)c2)cn1.
What is the InChIKey of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is LWWINBZUPLQSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-8-10(7-13-14)12-6-9-3-2-4-11(15)5-9/h2-5,7-8,12,15H,6H2,1H3.
What are the key properties of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 19627574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).