N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide

C21H28N4O3 — CID 121279565

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C21H28N4O3/c1-4-11-28-19-8-6-5-7-16(19)20(26)22-15-9-10-25(13-15)21(27)18-12-17(14(2)3)23-24-18/h5-8,12,14-15H,4,9-11,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyIJJAFCRJPOIWNR-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.97
Rot. Bonds7

About N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide (PubChem CID 121279565) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
PubChem CID121279565
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C21H28N4O3/c1-4-11-28-19-8-6-5-7-16(19)20(26)22-15-9-10-25(13-15)21(27)18-12-17(14(2)3)23-24-18/h5-8,12,14-15H,4,9-11,13H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyIJJAFCRJPOIWNR-UHFFFAOYSA-N
XLogP2.97
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide 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

2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 121279734
2-ethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;N-(1-formylpyrrolidin-3-yl)-2-methylcyclopropane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
CID 145062462
N-[1-[5-[1-[2-ethyl-2-[[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]carbamoyl]cyclopropyl]propan-2-yl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide
CID 162572336
2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 167924107
1-methyl-N-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279422
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166351781
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166351832
N-[1-(4-fluorothiophene-3-carbonyl)pyrrolidin-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 166351801
1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279425
(5-propan-2-yl-1H-pyrazol-3-yl)-[3-[(3,3,3-trifluoro-1-hydroxypropyl)amino]pyrrolidin-1-yl]methanone
CID 162575493

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide (CID 121279565) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide?
The InChIKey is IJJAFCRJPOIWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-11-28-19-8-6-5-7-16(19)20(26)22-15-9-10-25(13-15)21(27)18-12-17(14(2)3)23-24-18/h5-8,12,14-15H,4,9-11,13H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide is sourced from PubChem (CID 121279565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).