1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea

C17H23N5OS — CID 97228796

IUPAC1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc([C@H](NC(=O)Nc2cc(C3CCC3)nn2C)C2CC2)n1
InChIInChI=1S/C17H23N5OS/c1-10-9-24-16(18-10)15(12-6-7-12)20-17(23)19-14-8-13(21-22(14)2)11-4-3-5-11/h8-9,11-12,15H,3-7H2,1-2H3,(H2,19,20,23)/t15-/m1/s1
InChIKeyLCBJGAHJEVAXFW-OAHLLOKOSA-N
MW345.47 g/mol
LogP3.73
Rot. Bonds5

About 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 97228796) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID97228796
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc([C@H](NC(=O)Nc2cc(C3CCC3)nn2C)C2CC2)n1
InChIInChI=1S/C17H23N5OS/c1-10-9-24-16(18-10)15(12-6-7-12)20-17(23)19-14-8-13(21-22(14)2)11-4-3-5-11/h8-9,11-12,15H,3-7H2,1-2H3,(H2,19,20,23)/t15-/m1/s1
InChIKeyLCBJGAHJEVAXFW-OAHLLOKOSA-N
XLogP3.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 97228796) is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc([C@H](NC(=O)Nc2cc(C3CCC3)nn2C)C2CC2)n1.
What is the InChIKey of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is LCBJGAHJEVAXFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-10-9-24-16(18-10)15(12-6-7-12)20-17(23)19-14-8-13(21-22(14)2)11-4-3-5-11/h8-9,11-12,15H,3-7H2,1-2H3,(H2,19,20,23)/t15-/m1/s1.
What are the key properties of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 345.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 97228796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).