N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide

C15H22N4O2 — CID 71830371

IUPACN-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)n1cc(N2CC(C(=O)NCC3CC3)CC2=O)cn1
InChIInChI=1S/C15H22N4O2/c1-10(2)19-9-13(7-17-19)18-8-12(5-14(18)20)15(21)16-6-11-3-4-11/h7,9-12H,3-6,8H2,1-2H3,(H,16,21)
InChIKeyHPJBDIUOICPWHQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.34
Rot. Bonds5

About N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide

N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 71830371) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID71830371
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)n1cc(N2CC(C(=O)NCC3CC3)CC2=O)cn1
InChIInChI=1S/C15H22N4O2/c1-10(2)19-9-13(7-17-19)18-8-12(5-14(18)20)15(21)16-6-11-3-4-11/h7,9-12H,3-6,8H2,1-2H3,(H,16,21)
InChIKeyHPJBDIUOICPWHQ-UHFFFAOYSA-N
XLogP1.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 71830371) is N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide is CC(C)n1cc(N2CC(C(=O)NCC3CC3)CC2=O)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is HPJBDIUOICPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)19-9-13(7-17-19)18-8-12(5-14(18)20)15(21)16-6-11-3-4-11/h7,9-12H,3-6,8H2,1-2H3,(H,16,21).
What are the key properties of N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide?
N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71830371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).