N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C15H23N3O2 — CID 127458146

IUPACN-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CCCc2[nH]ncc21
InChIInChI=1S/C15H23N3O2/c19-11-4-1-3-10(7-11)8-16-15(20)12-5-2-6-14-13(12)9-17-18-14/h9-12,19H,1-8H2,(H,16,20)(H,17,18)
InChIKeyKQONEQYQVIMRRJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.50
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 127458146) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID127458146
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CCCc2[nH]ncc21
InChIInChI=1S/C15H23N3O2/c19-11-4-1-3-10(7-11)8-16-15(20)12-5-2-6-14-13(12)9-17-18-14/h9-12,19H,1-8H2,(H,16,20)(H,17,18)
InChIKeyKQONEQYQVIMRRJ-UHFFFAOYSA-N
XLogP1.50
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106135230
(4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 124840840
methyl (2R)-2-(4-fluorophenyl)-3-[[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]amino]propanoate
CID 124624899
N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126781231
2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]azepin-3-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 155961845
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726
N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126783511
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111460143

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 127458146) is N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(NCC1CCCC(O)C1)C1CCCc2[nH]ncc21.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is KQONEQYQVIMRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-11-4-1-3-10(7-11)8-16-15(20)12-5-2-6-14-13(12)9-17-18-14/h9-12,19H,1-8H2,(H,16,20)(H,17,18).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 127458146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).