9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C21H32N4O3 — CID 162635815

IUPAC9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)n1cc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)cn1
InChIInChI=1S/C21H32N4O3/c1-15(2)25-14-16(13-22-25)19(27)24-12-4-10-21(24)9-3-11-23(20(21)28)17-5-7-18(26)8-6-17/h13-15,17-18,26H,3-12H2,1-2H3
InChIKeyRSRCMDAMCCBOPQ-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.36
Rot. Bonds3

About 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635815) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635815
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)n1cc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)cn1
InChIInChI=1S/C21H32N4O3/c1-15(2)25-14-16(13-22-25)19(27)24-12-4-10-21(24)9-3-11-23(20(21)28)17-5-7-18(26)8-6-17/h13-15,17-18,26H,3-12H2,1-2H3
InChIKeyRSRCMDAMCCBOPQ-UHFFFAOYSA-N
XLogP2.36
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162635815) is 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is CC(C)n1cc(C(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)cn1.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is RSRCMDAMCCBOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15(2)25-14-16(13-22-25)19(27)24-12-4-10-21(24)9-3-11-23(20(21)28)17-5-7-18(26)8-6-17/h13-15,17-18,26H,3-12H2,1-2H3.
What are the key properties of 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 388.51 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).