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

C13H14N4O3 — CID 61199619

IUPAC2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
SMILESCn1cc(NC(=O)Nc2ccc(CC(=O)O)cc2)cn1
InChIInChI=1S/C13H14N4O3/c1-17-8-11(7-14-17)16-13(20)15-10-4-2-9(3-5-10)6-12(18)19/h2-5,7-8H,6H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyCUHRENUAOWBJOM-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.69
Rot. Bonds4

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

2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid (PubChem CID 61199619) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
PubChem CID61199619
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
SMILESCn1cc(NC(=O)Nc2ccc(CC(=O)O)cc2)cn1
InChIInChI=1S/C13H14N4O3/c1-17-8-11(7-14-17)16-13(20)15-10-4-2-9(3-5-10)6-12(18)19/h2-5,7-8H,6H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyCUHRENUAOWBJOM-UHFFFAOYSA-N
XLogP1.69
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 107795953
4-[2-[(1-methylpyrazol-4-yl)carbamoylamino]ethyl]benzoic acid
CID 61198132
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095436
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid (CID 61199619) is 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid is Cn1cc(NC(=O)Nc2ccc(CC(=O)O)cc2)cn1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid?
The InChIKey is CUHRENUAOWBJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-8-11(7-14-17)16-13(20)15-10-4-2-9(3-5-10)6-12(18)19/h2-5,7-8H,6H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid?
2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 61199619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).