1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea

C18H21N5O — CID 108746548

IUPAC1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
SMILESCCN(CC)C(=O)Nc1cc(C)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C18H21N5O/c1-4-22(5-2)18(24)20-17-12-13(3)21-23(17)16-11-10-14-8-6-7-9-15(14)19-16/h6-12H,4-5H2,1-3H3,(H,20,24)
InChIKeyBGOPLDDNAUXYNR-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.60
Rot. Bonds4

About 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea

1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea (PubChem CID 108746548) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
PubChem CID108746548
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
SMILESCCN(CC)C(=O)Nc1cc(C)nn1-c1ccc2ccccc2n1
InChIInChI=1S/C18H21N5O/c1-4-22(5-2)18(24)20-17-12-13(3)21-23(17)16-11-10-14-8-6-7-9-15(14)19-16/h6-12H,4-5H2,1-3H3,(H,20,24)
InChIKeyBGOPLDDNAUXYNR-UHFFFAOYSA-N
XLogP3.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
CID 108747189
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
CID 108768765
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 108778727
3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
CID 108778771
ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108768806
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
CID 108778767
[2-methoxy-4-[(E)-3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-3-oxoprop-1-enyl]phenyl] acetate
CID 108768795
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797812
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea (CID 108746548) is 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea is CCN(CC)C(=O)Nc1cc(C)nn1-c1ccc2ccccc2n1.
What is the InChIKey of 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea?
The InChIKey is BGOPLDDNAUXYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-22(5-2)18(24)20-17-12-13(3)21-23(17)16-11-10-14-8-6-7-9-15(14)19-16/h6-12H,4-5H2,1-3H3,(H,20,24).
What are the key properties of 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea?
1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 108746548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).