1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea

C17H19N5O — CID 71863050

IUPAC1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea
SMILESCC(C)n1nccc1NC(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C17H19N5O/c1-12(2)22-16(8-10-20-22)21-17(23)19-11-13-7-9-18-15-6-4-3-5-14(13)15/h3-10,12H,11H2,1-2H3,(H2,19,21,23)
InChIKeyCBFQUWILTKXQNW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea

1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea (PubChem CID 71863050) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea
PubChem CID71863050
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea
SMILESCC(C)n1nccc1NC(=O)NCc1ccnc2ccccc12
InChIInChI=1S/C17H19N5O/c1-12(2)22-16(8-10-20-22)21-17(23)19-11-13-7-9-18-15-6-4-3-5-14(13)15/h3-10,12H,11H2,1-2H3,(H2,19,21,23)
InChIKeyCBFQUWILTKXQNW-UHFFFAOYSA-N
XLogP3.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea?
The IUPAC name of 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea (CID 71863050) is 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea?
The canonical SMILES for 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea is CC(C)n1nccc1NC(=O)NCc1ccnc2ccccc12.
What is the InChIKey of 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea?
The InChIKey is CBFQUWILTKXQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(2)22-16(8-10-20-22)21-17(23)19-11-13-7-9-18-15-6-4-3-5-14(13)15/h3-10,12H,11H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea?
1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea has a molecular weight of 309.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazol-3-yl)-3-(quinolin-4-ylmethyl)urea is sourced from PubChem (CID 71863050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).