3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol

C13H17N3O — CID 122168784

IUPAC3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCCn1ncc(NCc2cccc(O)c2)c1C
InChIInChI=1S/C13H17N3O/c1-3-16-10(2)13(9-15-16)14-8-11-5-4-6-12(17)7-11/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyCHZXAQZZNCHYFC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.53
Rot. Bonds4

About 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol

3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 122168784) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
PubChem CID122168784
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCCn1ncc(NCc2cccc(O)c2)c1C
InChIInChI=1S/C13H17N3O/c1-3-16-10(2)13(9-15-16)14-8-11-5-4-6-12(17)7-11/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyCHZXAQZZNCHYFC-UHFFFAOYSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
CID 126964810
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
4-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168604
3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol
CID 122168788
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
CID 126966596
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol
CID 43693851
1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 75442665

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol (CID 122168784) is 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol is CCn1ncc(NCc2cccc(O)c2)c1C.
What is the InChIKey of 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is CHZXAQZZNCHYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-10(2)13(9-15-16)14-8-11-5-4-6-12(17)7-11/h4-7,9,14,17H,3,8H2,1-2H3.
What are the key properties of 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol?
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 122168784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).