1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea

C19H19ClN4O — CID 10193666

IUPAC1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea
SMILESCCc1cnn(C)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN4O/c1-3-13-12-21-24(2)18(13)14-5-4-6-17(11-14)23-19(25)22-16-9-7-15(20)8-10-16/h4-12H,3H2,1-2H3,(H2,22,23,25)
InChIKeyDTIWSYZRMISWAH-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.95
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea (PubChem CID 10193666) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea
PubChem CID10193666
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea
SMILESCCc1cnn(C)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN4O/c1-3-13-12-21-24(2)18(13)14-5-4-6-17(11-14)23-19(25)22-16-9-7-15(20)8-10-16/h4-12H,3H2,1-2H3,(H2,22,23,25)
InChIKeyDTIWSYZRMISWAH-UHFFFAOYSA-N
XLogP4.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea
CID 118716100
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
(E)-3-[5-(3-chlorophenyl)-1-methylpyrazol-4-yl]-N-[4-(diethoxyphosphorylmethyl)phenyl]prop-2-enamide
CID 87734747
CID 123176042
CID 123176042

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea (CID 10193666) is 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea is CCc1cnn(C)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea?
The InChIKey is DTIWSYZRMISWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-3-13-12-21-24(2)18(13)14-5-4-6-17(11-14)23-19(25)22-16-9-7-15(20)8-10-16/h4-12H,3H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea has a molecular weight of 354.84 g/mol, XLogP of 4.95, 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-[3-(4-ethyl-1-methylpyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 10193666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).