3-[(2-ethylpyrazol-3-yl)methylamino]phenol

C12H15N3O — CID 114554894

IUPAC3-[(2-ethylpyrazol-3-yl)methylamino]phenol
SMILESCCn1nccc1CNc1cccc(O)c1
InChIInChI=1S/C12H15N3O/c1-2-15-11(6-7-14-15)9-13-10-4-3-5-12(16)8-10/h3-8,13,16H,2,9H2,1H3
InChIKeyMJZGPGQNDGEBPX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.22
Rot. Bonds4

About 3-[(2-ethylpyrazol-3-yl)methylamino]phenol

3-[(2-ethylpyrazol-3-yl)methylamino]phenol (PubChem CID 114554894) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(2-ethylpyrazol-3-yl)methylamino]phenol.

Molecular Properties

Compound Name3-[(2-ethylpyrazol-3-yl)methylamino]phenol
PubChem CID114554894
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[(2-ethylpyrazol-3-yl)methylamino]phenol
SMILESCCn1nccc1CNc1cccc(O)c1
InChIInChI=1S/C12H15N3O/c1-2-15-11(6-7-14-15)9-13-10-4-3-5-12(16)8-10/h3-8,13,16H,2,9H2,1H3
InChIKeyMJZGPGQNDGEBPX-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009
5-[(2-ethylpyrazol-3-yl)methylamino]-2-hydroxybenzoic acid
CID 19624676
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 115879496
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methylaniline
CID 115777063
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
CID 115761962
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-3-(trifluoromethyl)aniline
CID 115762717
N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838297
N-[(2-ethylpyrazol-3-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 114555991
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrazol-3-yl)methylamino]phenol?
The IUPAC name of 3-[(2-ethylpyrazol-3-yl)methylamino]phenol (CID 114554894) is 3-[(2-ethylpyrazol-3-yl)methylamino]phenol.
What is the SMILES notation for 3-[(2-ethylpyrazol-3-yl)methylamino]phenol?
The canonical SMILES for 3-[(2-ethylpyrazol-3-yl)methylamino]phenol is CCn1nccc1CNc1cccc(O)c1.
What is the InChIKey of 3-[(2-ethylpyrazol-3-yl)methylamino]phenol?
The InChIKey is MJZGPGQNDGEBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-15-11(6-7-14-15)9-13-10-4-3-5-12(16)8-10/h3-8,13,16H,2,9H2,1H3.
What are the key properties of 3-[(2-ethylpyrazol-3-yl)methylamino]phenol?
3-[(2-ethylpyrazol-3-yl)methylamino]phenol has a molecular weight of 217.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrazol-3-yl)methylamino]phenol is sourced from PubChem (CID 114554894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).