2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C15H23N3O3 — CID 106032423

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCc2cnn(C)c2C)C1
InChIInChI=1S/C15H23N3O3/c1-4-10-5-12(13(6-10)15(20)21)14(19)16-7-11-8-17-18(3)9(11)2/h8,10,12-13H,4-7H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyYVGRLANEAYQBAP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.48
Rot. Bonds5

About 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 106032423) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID106032423
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCc2cnn(C)c2C)C1
InChIInChI=1S/C15H23N3O3/c1-4-10-5-12(13(6-10)15(20)21)14(19)16-7-11-8-17-18(3)9(11)2/h8,10,12-13H,4-7H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyYVGRLANEAYQBAP-UHFFFAOYSA-N
XLogP1.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620296
(1R,2S,3R,4S)-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51851294
4-ethyl-2-[(4-methylthiophen-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511970
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858
cis-(1R,2S)-4-ethyl-2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390546
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine-2-carboxamide
CID 106047227
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419
(2R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106037747
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 126815726

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 106032423) is 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCc2cnn(C)c2C)C1.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is YVGRLANEAYQBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-10-5-12(13(6-10)15(20)21)14(19)16-7-11-8-17-18(3)9(11)2/h8,10,12-13H,4-7H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106032423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).