1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid

C14H23N3O2 — CID 65068753

IUPAC1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2cnn(C)c2)C1
InChIInChI=1S/C14H23N3O2/c1-4-5-14(13(18)19)6-7-17(10-14)11(2)12-8-15-16(3)9-12/h8-9,11H,4-7,10H2,1-3H3,(H,18,19)
InChIKeySCOPTOATSAMHBZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds5

About 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid

1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 65068753) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID65068753
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2cnn(C)c2)C1
InChIInChI=1S/C14H23N3O2/c1-4-5-14(13(18)19)6-7-17(10-14)11(2)12-8-15-16(3)9-12/h8-9,11H,4-7,10H2,1-3H3,(H,18,19)
InChIKeySCOPTOATSAMHBZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,4-dichlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068465
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65063880
3-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064332
1-(2,6-dimethylheptan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 114866937
4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 65065016
1-[1-(2,5-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65064384
3-ethyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65063989
4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
CID 113487067
1-[1-(3-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65064418
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148720

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid (CID 65068753) is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)c2cnn(C)c2)C1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is SCOPTOATSAMHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-14(13(18)19)6-7-17(10-14)11(2)12-8-15-16(3)9-12/h8-9,11H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65068753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).