2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate

C17H22N2O3 — CID 175954409

IUPAC2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate
SMILESO=C(OCCC1CCC(CO)CC1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H22N2O3/c20-11-13-3-1-12(2-4-13)7-8-22-17(21)14-5-6-15-10-18-19-16(15)9-14/h5-6,9-10,12-13,20H,1-4,7-8,11H2,(H,18,19)
InChIKeyARWULSZWYGZCFI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.91
Rot. Bonds5

About 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate

2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate (PubChem CID 175954409) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate
PubChem CID175954409
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate
SMILESO=C(OCCC1CCC(CO)CC1)c1ccc2cn[nH]c2c1
InChIInChI=1S/C17H22N2O3/c20-11-13-3-1-12(2-4-13)7-8-22-17(21)14-5-6-15-10-18-19-16(15)9-14/h5-6,9-10,12-13,20H,1-4,7-8,11H2,(H,18,19)
InChIKeyARWULSZWYGZCFI-UHFFFAOYSA-N
XLogP2.91
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis[[4-(hydroxymethyl)cyclohexyl]methyl] naphthalene-2,6-dicarboxylate
CID 54489538
N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 106121573
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
propan-2-yl 1H-indazole-6-carboxylate
CID 33056357
N-(2-piperidin-4-yloxyethyl)-1H-indazole-6-carboxamide
CID 63871270
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057679
2-[1-(1H-indazole-6-carbonyl)azetidin-3-yl]acetic acid
CID 64604399
N-cyclopentyl-N-ethyl-1H-indazole-6-carboxamide
CID 62905257
6-(cyclopropylmethoxy)-1H-indazole
CID 67778171
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate?
The IUPAC name of 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate (CID 175954409) is 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate.
What is the SMILES notation for 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate?
The canonical SMILES for 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate is O=C(OCCC1CCC(CO)CC1)c1ccc2cn[nH]c2c1.
What is the InChIKey of 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate?
The InChIKey is ARWULSZWYGZCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-11-13-3-1-12(2-4-13)7-8-22-17(21)14-5-6-15-10-18-19-16(15)9-14/h5-6,9-10,12-13,20H,1-4,7-8,11H2,(H,18,19).
What are the key properties of 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate?
2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)cyclohexyl]ethyl 1H-indazole-6-carboxylate is sourced from PubChem (CID 175954409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).