3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol

C13H17N3O — CID 122168788

IUPAC3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCCn1nc(C)cc1NCc1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-3-16-13(7-10(2)15-16)14-9-11-5-4-6-12(17)8-11/h4-8,14,17H,3,9H2,1-2H3
InChIKeyOGKOCAUPEKHYPY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.53
Rot. Bonds4

About 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol

3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 122168788) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID122168788
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCCn1nc(C)cc1NCc1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-3-16-13(7-10(2)15-16)14-9-11-5-4-6-12(17)8-11/h4-8,14,17H,3,9H2,1-2H3
InChIKeyOGKOCAUPEKHYPY-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

3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
2-ethyl-N-(furan-2-ylmethyl)-5-methylpyrazol-3-amine
CID 122168955
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
2-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]benzoic acid;hydrochloride
CID 126966228
3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
CID 47293073
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-ethyl-5-methylpyrazol-3-amine
CID 122167225
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
2-ethyl-N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-5-methylpyrazol-3-amine;hydrochloride
CID 126967956
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
3-[[4-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]phenol
CID 43686641
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol (CID 122168788) is 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol is CCn1nc(C)cc1NCc1cccc(O)c1.
What is the InChIKey of 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is OGKOCAUPEKHYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-13(7-10(2)15-16)14-9-11-5-4-6-12(17)8-11/h4-8,14,17H,3,9H2,1-2H3.
What are the key properties of 3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol?
3-[[(2-ethyl-5-methylpyrazol-3-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-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 122168788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).