(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C19H29N3O3 — CID 97144176

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C19H29N3O3/c23-16-7-4-12-25-19(16)8-10-22(11-9-19)18(24)15-13-20-21-17(15)14-5-2-1-3-6-14/h13-14,16,23H,1-12H2,(H,20,21)/t16-/m0/s1
InChIKeyLLDPGCWSOOHHRK-INIZCTEOSA-N
MW347.46 g/mol
LogP2.60
Rot. Bonds2

About (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97144176) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID97144176
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC2(CC1)OCCC[C@@H]2O
InChIInChI=1S/C19H29N3O3/c23-16-7-4-12-25-19(16)8-10-22(11-9-19)18(24)15-13-20-21-17(15)14-5-2-1-3-6-14/h13-14,16,23H,1-12H2,(H,20,21)/t16-/m0/s1
InChIKeyLLDPGCWSOOHHRK-INIZCTEOSA-N
XLogP2.60
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163317492
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
CID 70755411
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 154897626
(5-cyclohexyl-1H-pyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 70732469
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118765935
(2,6-dimethyl-4-pyridinyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 99930019
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 126433395
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-cyclohexyl-1H-pyrazol-4-yl)methanone
CID 72845696
(2-chloro-4-fluorophenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97196154
6-tert-butyl-4-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-2-one
CID 72893575

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 97144176) is (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCC2(CC1)OCCC[C@@H]2O.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is LLDPGCWSOOHHRK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-16-7-4-12-25-19(16)8-10-22(11-9-19)18(24)15-13-20-21-17(15)14-5-2-1-3-6-14/h13-14,16,23H,1-12H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97144176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).