1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C15H21N5O — CID 75435278

IUPAC1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCC(C)C(C)NC(=O)Nc1ccnn1Cc1ccccn1
InChIInChI=1S/C15H21N5O/c1-11(2)12(3)18-15(21)19-14-7-9-17-20(14)10-13-6-4-5-8-16-13/h4-9,11-12H,10H2,1-3H3,(H2,18,19,21)
InChIKeyVQIFZONEWPRWIW-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.49
Rot. Bonds5

About 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 75435278) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID75435278
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCC(C)C(C)NC(=O)Nc1ccnn1Cc1ccccn1
InChIInChI=1S/C15H21N5O/c1-11(2)12(3)18-15(21)19-14-7-9-17-20(14)10-13-6-4-5-8-16-13/h4-9,11-12H,10H2,1-3H3,(H2,18,19,21)
InChIKeyVQIFZONEWPRWIW-UHFFFAOYSA-N
XLogP2.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 75435278) is 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is CC(C)C(C)NC(=O)Nc1ccnn1Cc1ccccn1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is VQIFZONEWPRWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)12(3)18-15(21)19-14-7-9-17-20(14)10-13-6-4-5-8-16-13/h4-9,11-12H,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 75435278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).