1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea

C14H17ClN4O — CID 35766516

IUPAC1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
SMILESCc1cc(C)n(CCNC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-10-9-11(2)19(18-10)8-7-16-14(20)17-13-5-3-12(15)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,16,17,20)
InChIKeyDODULXXKNNQELH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea (PubChem CID 35766516) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
PubChem CID35766516
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
SMILESCc1cc(C)n(CCNC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-10-9-11(2)19(18-10)8-7-16-14(20)17-13-5-3-12(15)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,16,17,20)
InChIKeyDODULXXKNNQELH-UHFFFAOYSA-N
XLogP2.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 19333992
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
1-(4-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]urea
CID 19283618
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
1-[2-(4-chlorophenoxy)ethyl]-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]urea
CID 86902399
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987752
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
1-(3-chlorophenyl)-3-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]urea
CID 19283635
1-(5-chloro-2-piperidin-1-ylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 112824886

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea (CID 35766516) is 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea is Cc1cc(C)n(CCNC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
The InChIKey is DODULXXKNNQELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10-9-11(2)19(18-10)8-7-16-14(20)17-13-5-3-12(15)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea has a molecular weight of 292.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 35766516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).