[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C15H19N5O2 — CID 166280188

IUPAC[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC1CCc2[nH]nc(C(=O)N3CC(O)(c4ccn[nH]4)C3)c2C1
InChIInChI=1S/C15H19N5O2/c1-9-2-3-11-10(6-9)13(19-17-11)14(21)20-7-15(22,8-20)12-4-5-16-18-12/h4-5,9,22H,2-3,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyAHGNXCMRBVJYDX-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.60
Rot. Bonds2

About [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 166280188) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID166280188
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC1CCc2[nH]nc(C(=O)N3CC(O)(c4ccn[nH]4)C3)c2C1
InChIInChI=1S/C15H19N5O2/c1-9-2-3-11-10(6-9)13(19-17-11)14(21)20-7-15(22,8-20)12-4-5-16-18-12/h4-5,9,22H,2-3,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyAHGNXCMRBVJYDX-UHFFFAOYSA-N
XLogP0.60
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-piperidin-1-ylmethanone
CID 95990066
(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
[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-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 70752232
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
N-[(4-chlorophenyl)-pyrimidin-2-ylmethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 166253174
[(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
N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46961739
[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 154772530
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95215664

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 166280188) is [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is CC1CCc2[nH]nc(C(=O)N3CC(O)(c4ccn[nH]4)C3)c2C1.
What is the InChIKey of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is AHGNXCMRBVJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-2-3-11-10(6-9)13(19-17-11)14(21)20-7-15(22,8-20)12-4-5-16-18-12/h4-5,9,22H,2-3,6-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1H-pyrazol-5-yl)azetidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 166280188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).