3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

C18H23N3O3 — CID 19506544

IUPAC3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccn(CCC(=O)O)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)14-4-6-15(7-5-14)13(3)19-18(24)16-8-10-21(20-16)11-9-17(22)23/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyURDQKFBUWZUOEK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.97
Rot. Bonds7

About 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19506544) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19506544
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1ccc(C(C)NC(=O)c2ccn(CCC(=O)O)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(2)14-4-6-15(7-5-14)13(3)19-18(24)16-8-10-21(20-16)11-9-17(22)23/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyURDQKFBUWZUOEK-UHFFFAOYSA-N
XLogP2.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623636
3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623630
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
3-[3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19470499
1-[3-oxo-3-(4-propan-2-ylanilino)propyl]pyrazole-3-carboxylic acid
CID 19470585
1-[3-[1-(4-tert-butylphenyl)ethylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470667
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493
3-[3-[[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19470444
1-[(4-tert-butylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19273693
3-[3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623635

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19506544) is 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is CC(C)c1ccc(C(C)NC(=O)c2ccn(CCC(=O)O)n2)cc1.
What is the InChIKey of 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is URDQKFBUWZUOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)14-4-6-15(7-5-14)13(3)19-18(24)16-8-10-21(20-16)11-9-17(22)23/h4-8,10,12-13H,9,11H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19506544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).