9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one

C22H35N5O2 — CID 97275408

IUPAC9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)c1C
InChIInChI=1S/C22H35N5O2/c1-4-10-27-17(2)19(14-23-27)21(29)25-12-8-22(9-13-25)7-5-20(28)26(16-22)18-6-11-24(3)15-18/h14,18H,4-13,15-16H2,1-3H3/t18-/m0/s1
InChIKeyKJSFWNOHTBHZNL-SFHVURJKSA-N
MW401.56 g/mol
LogP2.15
Rot. Bonds4

About 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one

9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97275408) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97275408
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)c1C
InChIInChI=1S/C22H35N5O2/c1-4-10-27-17(2)19(14-23-27)21(29)25-12-8-22(9-13-25)7-5-20(28)26(16-22)18-6-11-24(3)15-18/h14,18H,4-13,15-16H2,1-3H3/t18-/m0/s1
InChIKeyKJSFWNOHTBHZNL-SFHVURJKSA-N
XLogP2.15
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97275408) is 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one is CCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)c1C.
What is the InChIKey of 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KJSFWNOHTBHZNL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-4-10-27-17(2)19(14-23-27)21(29)25-12-8-22(9-13-25)7-5-20(28)26(16-22)18-6-11-24(3)15-18/h14,18H,4-13,15-16H2,1-3H3/t18-/m0/s1.
What are the key properties of 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 401.56 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97275408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).