2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol

C16H17N3O2 — CID 43690855

IUPAC2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol
SMILESCCOc1cc(CNc2ccc3[nH]ncc3c2)ccc1O
InChIInChI=1S/C16H17N3O2/c1-2-21-16-7-11(3-6-15(16)20)9-17-13-4-5-14-12(8-13)10-18-19-14/h3-8,10,17,20H,2,9H2,1H3,(H,18,19)
InChIKeyFPYHEHBDMJCJEU-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.28
Rot. Bonds5

About 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol

2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol (PubChem CID 43690855) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol
PubChem CID43690855
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol
SMILESCCOc1cc(CNc2ccc3[nH]ncc3c2)ccc1O
InChIInChI=1S/C16H17N3O2/c1-2-21-16-7-11(3-6-15(16)20)9-17-13-4-5-14-12(8-13)10-18-19-14/h3-8,10,17,20H,2,9H2,1H3,(H,18,19)
InChIKeyFPYHEHBDMJCJEU-UHFFFAOYSA-N
XLogP3.28
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
2-ethoxy-4-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 107584887
2-ethoxy-4-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 43535020
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
CID 66414928
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol (CID 43690855) is 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol is CCOc1cc(CNc2ccc3[nH]ncc3c2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol?
The InChIKey is FPYHEHBDMJCJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-21-16-7-11(3-6-15(16)20)9-17-13-4-5-14-12(8-13)10-18-19-14/h3-8,10,17,20H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol?
2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol has a molecular weight of 283.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1H-indazol-5-ylamino)methyl]phenol is sourced from PubChem (CID 43690855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).