N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide

C17H23N3O2 — CID 164629485

IUPACN-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide
SMILESO=C(Cc1ccc2[nH]ncc2c1)NCC[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H23N3O2/c21-16-4-2-1-3-13(16)7-8-18-17(22)10-12-5-6-15-14(9-12)11-19-20-15/h5-6,9,11,13,16,21H,1-4,7-8,10H2,(H,18,22)(H,19,20)/t13-,16-/m0/s1
InChIKeySRCYGSBGUHRNBC-BBRMVZONSA-N
MW301.39 g/mol
LogP2.16
Rot. Bonds5

About N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide

N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide (PubChem CID 164629485) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide
PubChem CID164629485
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide
SMILESO=C(Cc1ccc2[nH]ncc2c1)NCC[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H23N3O2/c21-16-4-2-1-3-13(16)7-8-18-17(22)10-12-5-6-15-14(9-12)11-19-20-15/h5-6,9,11,13,16,21H,1-4,7-8,10H2,(H,18,22)(H,19,20)/t13-,16-/m0/s1
InChIKeySRCYGSBGUHRNBC-BBRMVZONSA-N
XLogP2.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide
CID 119037007
2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
CID 154880645
2-(1H-indazol-5-yl)acetic acid
CID 39103838
cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
CID 126835076
N-[3-[(1S,2S)-2-hydroxycyclohexyl]propyl]-2-quinolin-3-ylacetamide
CID 99632739
N-(2-piperidin-4-ylethyl)-1H-indazole-5-carboxamide
CID 22934092
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide
CID 154862895
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide?
The IUPAC name of N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide (CID 164629485) is N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide?
The canonical SMILES for N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide is O=C(Cc1ccc2[nH]ncc2c1)NCC[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide?
The InChIKey is SRCYGSBGUHRNBC-BBRMVZONSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-4-2-1-3-13(16)7-8-18-17(22)10-12-5-6-15-14(9-12)11-19-20-15/h5-6,9,11,13,16,21H,1-4,7-8,10H2,(H,18,22)(H,19,20)/t13-,16-/m0/s1.
What are the key properties of N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide?
N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 164629485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).