(3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid

C12H17N3O3 — CID 42580041

IUPAC(3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCn1nc(N2C[C@H](C(=O)O)CC2=O)cc1C
InChIInChI=1S/C12H17N3O3/c1-3-4-15-8(2)5-10(13-15)14-7-9(12(17)18)6-11(14)16/h5,9H,3-4,6-7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyYPGGDBULEADDQB-SECBINFHSA-N
MW251.29 g/mol
LogP1.04
Rot. Bonds4

About (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 42580041) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID42580041
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCCn1nc(N2C[C@H](C(=O)O)CC2=O)cc1C
InChIInChI=1S/C12H17N3O3/c1-3-4-15-8(2)5-10(13-15)14-7-9(12(17)18)6-11(14)16/h5,9H,3-4,6-7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyYPGGDBULEADDQB-SECBINFHSA-N
XLogP1.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690509
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-(4-bromo-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94068718
1-(4-iodo-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50880512
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
(3S)-1-(3-ethyl-4-iodo-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94068742
(3R)-1-(4-bromo-1-methylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 125492023
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690553
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040
1-(6-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691028
1-(6-bromo-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691094

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 42580041) is (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid is CCCn1nc(N2C[C@H](C(=O)O)CC2=O)cc1C.
What is the InChIKey of (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is YPGGDBULEADDQB-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-4-15-8(2)5-10(13-15)14-7-9(12(17)18)6-11(14)16/h5,9H,3-4,6-7H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methyl-1-propylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 42580041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).