1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid

C15H21N3O4 — CID 167800315

IUPAC1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1C(=O)c1cnn(C)c1C1CC1
InChIInChI=1S/C15H21N3O4/c1-17-12(10-4-5-10)11(8-16-17)13(19)18-7-3-6-15(18,9-22-2)14(20)21/h8,10H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyGMDRDKUTIDFFSZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.00
Rot. Bonds5

About 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid

1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 167800315) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID167800315
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1C(=O)c1cnn(C)c1C1CC1
InChIInChI=1S/C15H21N3O4/c1-17-12(10-4-5-10)11(8-16-17)13(19)18-7-3-6-15(18,9-22-2)14(20)21/h8,10H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyGMDRDKUTIDFFSZ-UHFFFAOYSA-N
XLogP1.00
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 154761725
2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 154741914
1-[3-(4-chloropyrazol-1-yl)propanoyl]-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 154740805
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
1-(4-cyanobenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 167962167
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120805504
4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119357867
1-methyl-5-(thian-4-yl)pyrazole-4-carboxylic acid
CID 105483999
1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979141
2-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535092
2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 131631787

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid (CID 167800315) is 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid is COCC1(C(=O)O)CCCN1C(=O)c1cnn(C)c1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GMDRDKUTIDFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-17-12(10-4-5-10)11(8-16-17)13(19)18-7-3-6-15(18,9-22-2)14(20)21/h8,10H,3-7,9H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167800315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).