[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone

C14H21N3O — CID 95990066

IUPAC[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12-11(9-10)13(16-15-12)14(18)17-7-3-2-4-8-17/h10H,2-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyDZNWHRNZUMDCAQ-JTQLQIEISA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds1

About [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone

[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 95990066) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone
PubChem CID95990066
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C14H21N3O/c1-10-5-6-12-11(9-10)13(16-15-12)14(18)17-7-3-2-4-8-17/h10H,2-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyDZNWHRNZUMDCAQ-JTQLQIEISA-N
XLogP2.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56910846
2-(2-hydroxyethyl)-9-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97143946
2-(3-methylbut-2-enyl)-8-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97199707
[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 166280188
(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
CID 125173447
2-(dimethylamino)-7-[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136883847
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
[(3S)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
CID 95849481
5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 56713531
3-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 70752232
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone (CID 95990066) is [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone is C[C@H]1CCc2[nH]nc(C(=O)N3CCCCC3)c2C1.
What is the InChIKey of [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is DZNWHRNZUMDCAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-6-12-11(9-10)13(16-15-12)14(18)17-7-3-2-4-8-17/h10H,2-9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone?
[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 95990066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).