2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid

C14H14ClN3O3 — CID 60825165

IUPAC2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid
SMILESCc1c(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C14H14ClN3O3/c1-9-12(7-16-17(9)2)14(21)18(8-13(19)20)11-5-3-10(15)4-6-11/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyRYWUHVXQWPUHSW-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.11
Rot. Bonds4

About 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid

2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid (PubChem CID 60825165) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid
PubChem CID60825165
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid
SMILESCc1c(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C14H14ClN3O3/c1-9-12(7-16-17(9)2)14(21)18(8-13(19)20)11-5-3-10(15)4-6-11/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyRYWUHVXQWPUHSW-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 60826661
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60826824
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
N-(3-aminopropyl)-1,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 43318651
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61234511
2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
N-[2-(4-chlorophenyl)sulfonylethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51092425
4-[(1,5-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827421
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105102608
2-(4-chloro-N-[2-(methylamino)acetyl]anilino)acetic acid
CID 61162445

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid (CID 60825165) is 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid is Cc1c(C(=O)N(CC(=O)O)c2ccc(Cl)cc2)cnn1C.
What is the InChIKey of 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid?
The InChIKey is RYWUHVXQWPUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-9-12(7-16-17(9)2)14(21)18(8-13(19)20)11-5-3-10(15)4-6-11/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid?
2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid has a molecular weight of 307.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(1,5-dimethylpyrazole-4-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60825165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).