2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid

C12H10Cl2N4O3 — CID 65499226

IUPAC2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H10Cl2N4O3/c13-8-2-1-3-9(14)11(8)17-12(21)16-7-4-15-18(5-7)6-10(19)20/h1-5H,6H2,(H,19,20)(H2,16,17,21)
InChIKeyGBFYCVWUGOFKKA-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.92
Rot. Bonds4

About 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid

2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid (PubChem CID 65499226) has the molecular formula C12H10Cl2N4O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
PubChem CID65499226
Molecular FormulaC12H10Cl2N4O3
Molecular Weight329.14 g/mol
Exact Mass328.01
IUPAC Name2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H10Cl2N4O3/c13-8-2-1-3-9(14)11(8)17-12(21)16-7-4-15-18(5-7)6-10(19)20/h1-5H,6H2,(H,19,20)(H2,16,17,21)
InChIKeyGBFYCVWUGOFKKA-UHFFFAOYSA-N
XLogP2.92
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid (CID 65499226) is 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)Nc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is GBFYCVWUGOFKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O3/c13-8-2-1-3-9(14)11(8)17-12(21)16-7-4-15-18(5-7)6-10(19)20/h1-5H,6H2,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid?
2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 329.14 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 65499226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).