2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid

C14H16N4O3 — CID 61198137

IUPAC2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C14H16N4O3/c1-10-3-5-12(6-4-10)18(9-13(19)20)14(21)16-11-7-15-17(2)8-11/h3-8H,9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySJSMKCWPWZPTBK-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.85
Rot. Bonds4

About 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid

2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid (PubChem CID 61198137) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid
PubChem CID61198137
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C14H16N4O3/c1-10-3-5-12(6-4-10)18(9-13(19)20)14(21)16-11-7-15-17(2)8-11/h3-8H,9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySJSMKCWPWZPTBK-UHFFFAOYSA-N
XLogP1.85
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79256591
2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid
CID 114913138
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid
CID 61203767
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585
2-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820413
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
CID 61199619
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
CID 78874989

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid (CID 61198137) is 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid is Cc1ccc(N(CC(=O)O)C(=O)Nc2cnn(C)c2)cc1.
What is the InChIKey of 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid?
The InChIKey is SJSMKCWPWZPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-3-5-12(6-4-10)18(9-13(19)20)14(21)16-11-7-15-17(2)8-11/h3-8H,9H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid?
2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-N-[(1-methylpyrazol-4-yl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 61198137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).