4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol

C12H15N3O — CID 19627559

IUPAC4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
SMILESCCn1cc(NCc2ccc(O)cc2)cn1
InChIInChI=1S/C12H15N3O/c1-2-15-9-11(8-14-15)13-7-10-3-5-12(16)6-4-10/h3-6,8-9,13,16H,2,7H2,1H3
InChIKeyAUDAEEMRRCUWOY-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.22
Rot. Bonds4

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

4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 19627559) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
PubChem CID19627559
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
SMILESCCn1cc(NCc2ccc(O)cc2)cn1
InChIInChI=1S/C12H15N3O/c1-2-15-9-11(8-14-15)13-7-10-3-5-12(16)6-4-10/h3-6,8-9,13,16H,2,7H2,1H3
InChIKeyAUDAEEMRRCUWOY-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-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347
1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine
CID 43543348
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N,1-diethylpyrazol-4-amine
CID 43543394
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
CID 102909482

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol (CID 19627559) is 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol is CCn1cc(NCc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is AUDAEEMRRCUWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-15-9-11(8-14-15)13-7-10-3-5-12(16)6-4-10/h3-6,8-9,13,16H,2,7H2,1H3.
What are the key properties of 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol?
4-[[(1-ethylpyrazol-4-yl)amino]methyl]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 4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 19627559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).