1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid

C13H21N3O2 — CID 65068464

IUPAC1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccnn2C)C1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(12(17)18)6-8-16(10-13)9-11-4-7-14-15(11)2/h4,7H,3,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyFALCJFWSRKMDPX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds5

About 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid

1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65068464) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65068464
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccnn2C)C1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(12(17)18)6-8-16(10-13)9-11-4-7-14-15(11)2/h4,7H,3,5-6,8-10H2,1-2H3,(H,17,18)
InChIKeyFALCJFWSRKMDPX-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-[(3,4-dichlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148676
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
[4-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 104694713
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152561
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
1-[(3-bromothiophen-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148670
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 107125715
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
1-[(3-fluoro-4-methylphenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068611
1-[2-(4-bromophenoxy)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152611
1-(3-phenylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068754

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid (CID 65068464) is 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2ccnn2C)C1.
What is the InChIKey of 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is FALCJFWSRKMDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-13(12(17)18)6-8-16(10-13)9-11-4-7-14-15(11)2/h4,7H,3,5-6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65068464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).