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

C21H28N4O3 — CID 121279734

IUPAC2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C21H28N4O3/c1-13(2)17-11-18(24-23-17)21(27)25-10-9-15(12-25)22-20(26)16-7-5-6-8-19(16)28-14(3)4/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyCTDHTIBLOGVFNE-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.96
Rot. Bonds6

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

2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279734) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279734
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1
InChIInChI=1S/C21H28N4O3/c1-13(2)17-11-18(24-23-17)21(27)25-10-9-15(12-25)22-20(26)16-7-5-6-8-19(16)28-14(3)4/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyCTDHTIBLOGVFNE-UHFFFAOYSA-N
XLogP2.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
CID 121279565
2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 167924107
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
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
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166351832
4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166351781
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 121279593
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
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
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

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279734) is 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is CC(C)Oc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1.
What is the InChIKey of 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is CTDHTIBLOGVFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13(2)17-11-18(24-23-17)21(27)25-10-9-15(12-25)22-20(26)16-7-5-6-8-19(16)28-14(3)4/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).