3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid

C11H8Cl2N4O3 — CID 64529049

IUPAC3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N4O3/c12-5-1-2-6(13)7(3-5)14-11(20)15-9-4-8(10(18)19)16-17-9/h1-4H,(H,18,19)(H3,14,15,16,17,20)
InChIKeyDGKBWKSAEYUXPR-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.06
Rot. Bonds3

About 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid

3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64529049) has the molecular formula C11H8Cl2N4O3 and a molecular weight of 315.12 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64529049
Molecular FormulaC11H8Cl2N4O3
Molecular Weight315.12 g/mol
Exact Mass314.00
IUPAC Name3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N4O3/c12-5-1-2-6(13)7(3-5)14-11(20)15-9-4-8(10(18)19)16-17-9/h1-4H,(H,18,19)(H3,14,15,16,17,20)
InChIKeyDGKBWKSAEYUXPR-UHFFFAOYSA-N
XLogP3.06
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 104620466
3-[(2,5-dichlorophenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260352
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
3-[(2,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526287
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108813934
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid (CID 64529049) is 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid is O=C(Nc1cc(C(=O)O)[nH]n1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is DGKBWKSAEYUXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O3/c12-5-1-2-6(13)7(3-5)14-11(20)15-9-4-8(10(18)19)16-17-9/h1-4H,(H,18,19)(H3,14,15,16,17,20).
What are the key properties of 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid?
3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 315.12 g/mol, XLogP of 3.06, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64529049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).