N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide

C16H14ClN3O2 — CID 110885725

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cccc2cn[nH]c12
InChIInChI=1S/C16H14ClN3O2/c17-12-6-4-10(5-7-12)14(21)9-18-16(22)13-3-1-2-11-8-19-20-15(11)13/h1-8,14,21H,9H2,(H,18,22)(H,19,20)
InChIKeyZUOUBHIYOYWROV-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide (PubChem CID 110885725) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
PubChem CID110885725
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1cccc2cn[nH]c12
InChIInChI=1S/C16H14ClN3O2/c17-12-6-4-10(5-7-12)14(21)9-18-16(22)13-3-1-2-11-8-19-20-15(11)13/h1-8,14,21H,9H2,(H,18,22)(H,19,20)
InChIKeyZUOUBHIYOYWROV-UHFFFAOYSA-N
XLogP2.68
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 111424764
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
CID 111477059
1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
CID 111969339
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74247648
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
CID 47024547
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
CID 118929134
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide (CID 110885725) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)c1cccc2cn[nH]c12.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide?
The InChIKey is ZUOUBHIYOYWROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-12-6-4-10(5-7-12)14(21)9-18-16(22)13-3-1-2-11-8-19-20-15(11)13/h1-8,14,21H,9H2,(H,18,22)(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 110885725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).