1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

C13H14Cl2N4O — CID 104620466

IUPAC1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C13H14Cl2N4O/c1-7(2)10-6-12(19-18-10)17-13(20)16-11-5-8(14)3-4-9(11)15/h3-7H,1-2H3,(H3,16,17,18,19,20)
InChIKeyUKHSNBJQIYRPQF-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.48
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea

1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (PubChem CID 104620466) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
PubChem CID104620466
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1
InChIInChI=1S/C13H14Cl2N4O/c1-7(2)10-6-12(19-18-10)17-13(20)16-11-5-8(14)3-4-9(11)15/h3-7H,1-2H3,(H3,16,17,18,19,20)
InChIKeyUKHSNBJQIYRPQF-UHFFFAOYSA-N
XLogP4.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
3-[(2,5-dichlorophenyl)carbamoylamino]-1H-pyrazole-5-carboxylic acid
CID 64529049
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115976344
3-(4-chlorophenyl)sulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 115776624
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593045
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 104618326

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea (CID 104620466) is 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is CC(C)c1cc(NC(=O)Nc2cc(Cl)ccc2Cl)n[nH]1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
The InChIKey is UKHSNBJQIYRPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-7(2)10-6-12(19-18-10)17-13(20)16-11-5-8(14)3-4-9(11)15/h3-7H,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea?
1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea has a molecular weight of 313.19 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 104620466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).