N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide

C17H26N4O3 — CID 121279721

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCOCC3)C2)n[nH]1
InChIInChI=1S/C17H26N4O3/c1-11(2)14-9-15(20-19-14)17(23)21-6-3-13(10-21)18-16(22)12-4-7-24-8-5-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyGOVKAJDBNAMFLM-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 121279721) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID121279721
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCOCC3)C2)n[nH]1
InChIInChI=1S/C17H26N4O3/c1-11(2)14-9-15(20-19-14)17(23)21-6-3-13(10-21)18-16(22)12-4-7-24-8-5-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyGOVKAJDBNAMFLM-UHFFFAOYSA-N
XLogP1.29
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide (CID 121279721) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCOCC3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is GOVKAJDBNAMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(2)14-9-15(20-19-14)17(23)21-6-3-13(10-21)18-16(22)12-4-7-24-8-5-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.29, 4 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]oxane-4-carboxamide is sourced from PubChem (CID 121279721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).