2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid

C14H16N4O3 — CID 62534232

IUPAC2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
SMILESCn1cc(CNC(=O)Nc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C14H16N4O3/c1-18-9-10(8-16-18)7-15-14(21)17-12-5-3-2-4-11(12)6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H2,15,17,21)
InChIKeyQKSYHVBVACRQFW-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.37
Rot. Bonds5

About 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid

2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid (PubChem CID 62534232) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
PubChem CID62534232
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
SMILESCn1cc(CNC(=O)Nc2ccccc2CC(=O)O)cn1
InChIInChI=1S/C14H16N4O3/c1-18-9-10(8-16-18)7-15-14(21)17-12-5-3-2-4-11(12)6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H2,15,17,21)
InChIKeyQKSYHVBVACRQFW-UHFFFAOYSA-N
XLogP1.37
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119029
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 80681991
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56793753
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid (CID 62534232) is 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid is Cn1cc(CNC(=O)Nc2ccccc2CC(=O)O)cn1.
What is the InChIKey of 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
The InChIKey is QKSYHVBVACRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-18-9-10(8-16-18)7-15-14(21)17-12-5-3-2-4-11(12)6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H2,15,17,21).
What are the key properties of 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 62534232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).