2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid

C14H15N3O3 — CID 19500034

IUPAC2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cc(C)cc(NC(=O)c2ccn(CC(=O)O)n2)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-10(2)7-11(6-9)15-14(20)12-3-4-17(16-12)8-13(18)19/h3-7H,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBSKUPYPHBWZLNJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.84
Rot. Bonds4

About 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid

2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500034) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500034
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cc(C)cc(NC(=O)c2ccn(CC(=O)O)n2)c1
InChIInChI=1S/C14H15N3O3/c1-9-5-10(2)7-11(6-9)15-14(20)12-3-4-17(16-12)8-13(18)19/h3-7H,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBSKUPYPHBWZLNJ-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
2-[3-[(3,4-difluorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500090
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19501958
N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774451
2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500233
2-[3-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19501963
2-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500135
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 44824027
2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19502021
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19500034) is 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid is Cc1cc(C)cc(NC(=O)c2ccn(CC(=O)O)n2)c1.
What is the InChIKey of 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is BSKUPYPHBWZLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-10(2)7-11(6-9)15-14(20)12-3-4-17(16-12)8-13(18)19/h3-7H,8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).