1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide

C17H25N7O3 — CID 72925622

IUPAC1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)n2)CN1Cc1nc(C)no1
InChIInChI=1S/C17H25N7O3/c1-4-18-17(26)14-8-12(9-23(14)10-15-19-11(3)22-27-15)20-16(25)13-6-7-24(5-2)21-13/h6-7,12,14H,4-5,8-10H2,1-3H3,(H,18,26)(H,20,25)/t12-,14-/m0/s1
InChIKeyZEJLWSMGXUBMDM-JSGCOSHPSA-N
MW375.43 g/mol
LogP0.10
Rot. Bonds7

About 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide

1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 72925622) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID72925622
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)n2)CN1Cc1nc(C)no1
InChIInChI=1S/C17H25N7O3/c1-4-18-17(26)14-8-12(9-23(14)10-15-19-11(3)22-27-15)20-16(25)13-6-7-24(5-2)21-13/h6-7,12,14H,4-5,8-10H2,1-3H3,(H,18,26)(H,20,25)/t12-,14-/m0/s1
InChIKeyZEJLWSMGXUBMDM-JSGCOSHPSA-N
XLogP0.10
TPSA118.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162644858
2-methyl-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrazole-3-carboxamide
CID 53537763
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methylpyrazole-3-carboxamide
CID 53538181
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-2-methylpyrazole-3-carboxamide
CID 53547449
(1-Cyclopentylpyrazol-3-yl)-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56686174
2-ethyl-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 56826454
[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72123832
[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110203104
3-Ethyl-5-[1-(1-ethyl-1H-pyrazole-3-carbonyl)-4,4-difluoropyrrolidin-2-YL]-1,2,4-oxadiazole
CID 110203222
5-[4,4-Difluoro-1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-2-YL]-3-ethyl-1,2,4-oxadiazole
CID 110203243
N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134788474
1-Methyl-N-{1-[6-(pyrrolidin-1-YL)pyrimidin-4-YL]piperidin-3-YL}-1H-pyrazole-5-carboxamide
CID 53185803

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 72925622) is 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccn(CC)n2)CN1Cc1nc(C)no1.
What is the InChIKey of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is ZEJLWSMGXUBMDM-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-4-18-17(26)14-8-12(9-23(14)10-15-19-11(3)22-27-15)20-16(25)13-6-7-24(5-2)21-13/h6-7,12,14H,4-5,8-10H2,1-3H3,(H,18,26)(H,20,25)/t12-,14-/m0/s1.
What are the key properties of 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3S,5S)-5-(ethylcarbamoyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 72925622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).