N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide

C18H25N5O3 — CID 167792249

IUPACN-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide
SMILESO=C1CC[C@@H](C(=O)N2CCC3(CCC(NC(=O)c4cn[nH]c4)CC3)C2)N1
InChIInChI=1S/C18H25N5O3/c24-15-2-1-14(22-15)17(26)23-8-7-18(11-23)5-3-13(4-6-18)21-16(25)12-9-19-20-10-12/h9-10,13-14H,1-8,11H2,(H,19,20)(H,21,25)(H,22,24)/t13?,14-,18?/m0/s1
InChIKeyWXJHSDCCYTXGKR-FVRSWCFKSA-N
MW359.43 g/mol
LogP0.58
Rot. Bonds3

About N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide

N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide (PubChem CID 167792249) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide
PubChem CID167792249
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide
SMILESO=C1CC[C@@H](C(=O)N2CCC3(CCC(NC(=O)c4cn[nH]c4)CC3)C2)N1
InChIInChI=1S/C18H25N5O3/c24-15-2-1-14(22-15)17(26)23-8-7-18(11-23)5-3-13(4-6-18)21-16(25)12-9-19-20-10-12/h9-10,13-14H,1-8,11H2,(H,19,20)(H,21,25)(H,22,24)/t13?,14-,18?/m0/s1
InChIKeyWXJHSDCCYTXGKR-FVRSWCFKSA-N
XLogP0.58
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide 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 N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide (CID 167792249) is N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide is O=C1CC[C@@H](C(=O)N2CCC3(CCC(NC(=O)c4cn[nH]c4)CC3)C2)N1.
What is the InChIKey of N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is WXJHSDCCYTXGKR-FVRSWCFKSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-15-2-1-14(22-15)17(26)23-8-7-18(11-23)5-3-13(4-6-18)21-16(25)12-9-19-20-10-12/h9-10,13-14H,1-8,11H2,(H,19,20)(H,21,25)(H,22,24)/t13?,14-,18?/m0/s1.
What are the key properties of N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide?
N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-5-oxopyrrolidine-2-carbonyl]-2-azaspiro[4.5]decan-8-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167792249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).