(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid

C18H21N3O3 — CID 124610594

IUPAC(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCc1c(C(=O)N2CC[C@@H](C(=O)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-2-16-15(17(22)20-9-8-14(12-20)18(23)24)10-19-21(16)11-13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyFMXHBIVUNJIZSQ-CQSZACIVSA-N
MW327.38 g/mol
LogP2.04
Rot. Bonds5

About (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124610594) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124610594
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCc1c(C(=O)N2CC[C@@H](C(=O)O)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H21N3O3/c1-2-16-15(17(22)20-9-8-14(12-20)18(23)24)10-19-21(16)11-13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyFMXHBIVUNJIZSQ-CQSZACIVSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 78873697
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887521
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(3R,4R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978605
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 120814271
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 124610594) is (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is CCc1c(C(=O)N2CC[C@@H](C(=O)O)C2)cnn1Cc1ccccc1.
What is the InChIKey of (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FMXHBIVUNJIZSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-16-15(17(22)20-9-8-14(12-20)18(23)24)10-19-21(16)11-13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124610594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).