8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H25ClN4O3 — CID 70754003

IUPAC8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)OC1=O
InChIInChI=1S/C17H25ClN4O3/c1-4-5-12(2)22-11-17(25-16(22)24)6-8-21(9-7-17)15(23)14-13(18)10-20(3)19-14/h10,12H,4-9,11H2,1-3H3
InChIKeyIUZXCNAHQPGKEH-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.69
Rot. Bonds4

About 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70754003) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70754003
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC Name8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCC(C)N1CC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)OC1=O
InChIInChI=1S/C17H25ClN4O3/c1-4-5-12(2)22-11-17(25-16(22)24)6-8-21(9-7-17)15(23)14-13(18)10-20(3)19-14/h10,12H,4-9,11H2,1-3H3
InChIKeyIUZXCNAHQPGKEH-UHFFFAOYSA-N
XLogP2.69
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70754003) is 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC(C)N1CC2(CCN(C(=O)c3nn(C)cc3Cl)CC2)OC1=O.
What is the InChIKey of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IUZXCNAHQPGKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O3/c1-4-5-12(2)22-11-17(25-16(22)24)6-8-21(9-7-17)15(23)14-13(18)10-20(3)19-14/h10,12H,4-9,11H2,1-3H3.
What are the key properties of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 368.87 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-1-methylpyrazole-3-carbonyl)-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70754003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).