4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol

C15H14ClN3O2 — CID 104645956

IUPAC4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNc2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H14ClN3O2/c1-21-14-6-11(16)4-10(15(14)20)7-17-12-2-3-13-9(5-12)8-18-19-13/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyBECFZUQCPZKYIJ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol

4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol (PubChem CID 104645956) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
PubChem CID104645956
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CNc2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H14ClN3O2/c1-21-14-6-11(16)4-10(15(14)20)7-17-12-2-3-13-9(5-12)8-18-19-13/h2-6,8,17,20H,7H2,1H3,(H,18,19)
InChIKeyBECFZUQCPZKYIJ-UHFFFAOYSA-N
XLogP3.54
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Cambridge id 5457537
CID 784181
2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
CID 795038
Cambridge id 5464539
CID 784533
2-[(1H-indazol-7-ylamino)methyl]-6-methoxyphenol
CID 5304120
2-ethoxy-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 795030
4-chloro-2-[(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795043
N-[(3,4-dimethoxyphenyl)methyl]-1H-indazol-5-amine
CID 23847733
N-[[3-(4-chlorophenoxy)phenyl]methyl]-1H-indazol-5-amine
CID 23877812
N-[(2,3-dimethoxyphenyl)methyl]-1H-indazol-5-amine
CID 24073083
(1S)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 26405224
(1R)-N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 26405226
5-[(1H-indazol-5-ylamino)methyl]-2-methoxyphenol
CID 30983488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol (CID 104645956) is 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol is COc1cc(Cl)cc(CNc2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
The InChIKey is BECFZUQCPZKYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-21-14-6-11(16)4-10(15(14)20)7-17-12-2-3-13-9(5-12)8-18-19-13/h2-6,8,17,20H,7H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol?
4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol has a molecular weight of 303.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 104645956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).