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

C16H24N4O2 — CID 121279737

IUPACN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCC3)C2)n[nH]1
InChIInChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyWFZQSICPYNAMNU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.66
Rot. Bonds4

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

N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 121279737) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID121279737
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCC3)C2)n[nH]1
InChIInChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyWFZQSICPYNAMNU-UHFFFAOYSA-N
XLogP1.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]cyclobutanecarboxamide?
The IUPAC name of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide (CID 121279737) is N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCC3)C2)n[nH]1.
What is the InChIKey of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is WFZQSICPYNAMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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]cyclobutanecarboxamide is sourced from PubChem (CID 121279737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).