(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C15H21N5O2 — CID 167957491

IUPAC(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1cc(N2CC(NC(=O)[C@@H]3C[C@@H]4CC[C@H]3N4)CC2=O)cn1
InChIInChI=1S/C15H21N5O2/c1-19-8-11(6-16-19)20-7-10(5-14(20)21)18-15(22)12-4-9-2-3-13(12)17-9/h6,8-10,12-13,17H,2-5,7H2,1H3,(H,18,22)/t9-,10?,12+,13+/m0/s1
InChIKeyVSXYOYGQPYQVKK-ZGKZLBOZSA-N
MW303.37 g/mol
LogP-0.22
Rot. Bonds3

About (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167957491) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167957491
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1cc(N2CC(NC(=O)[C@@H]3C[C@@H]4CC[C@H]3N4)CC2=O)cn1
InChIInChI=1S/C15H21N5O2/c1-19-8-11(6-16-19)20-7-10(5-14(20)21)18-15(22)12-4-9-2-3-13(12)17-9/h6,8-10,12-13,17H,2-5,7H2,1H3,(H,18,22)/t9-,10?,12+,13+/m0/s1
InChIKeyVSXYOYGQPYQVKK-ZGKZLBOZSA-N
XLogP-0.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-(1-methyl-2-oxopyrrolidin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113266766
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
(3R,4S)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120930292
5-methyl-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
CID 166377461
(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
(4R)-1-(1-methylpyrazol-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 176873062
4-ethynyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 168501478
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119459613
N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119330157
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 136584260
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119459681

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 167957491) is (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is Cn1cc(N2CC(NC(=O)[C@@H]3C[C@@H]4CC[C@H]3N4)CC2=O)cn1.
What is the InChIKey of (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VSXYOYGQPYQVKK-ZGKZLBOZSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-8-11(6-16-19)20-7-10(5-14(20)21)18-15(22)12-4-9-2-3-13(12)17-9/h6,8-10,12-13,17H,2-5,7H2,1H3,(H,18,22)/t9-,10?,12+,13+/m0/s1.
What are the key properties of (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 303.37 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167957491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).