1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid

C18H27N3O4 — CID 154761725

IUPAC1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C1CCCCC1
InChIInChI=1S/C18H27N3O4/c1-20-11-14(15(19-20)13-7-4-3-5-8-13)16(22)21-10-6-9-18(21,12-25-2)17(23)24/h11,13H,3-10,12H2,1-2H3,(H,23,24)
InChIKeyDZFUWTWOSRHFIB-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.17
Rot. Bonds5

About 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid

1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 154761725) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID154761725
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
SMILESCOCC1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C1CCCCC1
InChIInChI=1S/C18H27N3O4/c1-20-11-14(15(19-20)13-7-4-3-5-8-13)16(22)21-10-6-9-18(21,12-25-2)17(23)24/h11,13H,3-10,12H2,1-2H3,(H,23,24)
InChIKeyDZFUWTWOSRHFIB-UHFFFAOYSA-N
XLogP2.17
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 167800315
1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
1-(4-bromo-2-methylbenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 154745102
(3-cyclohexyl-1-methylpyrazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292675
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
1-(4-cyanobenzoyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 167962167
2-(methoxymethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 154741914
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95348396
1-[3-(4-chloropyrazol-1-yl)propanoyl]-2-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 154740805
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 154786700
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid (CID 154761725) is 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid is COCC1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DZFUWTWOSRHFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-20-11-14(15(19-20)13-7-4-3-5-8-13)16(22)21-10-6-9-18(21,12-25-2)17(23)24/h11,13H,3-10,12H2,1-2H3,(H,23,24).
What are the key properties of 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid?
1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)-2-(methoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154761725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).