1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C13H19N5OS — CID 71870216

IUPAC1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2cnn(CC(C)C)c2)s1
InChIInChI=1S/C13H19N5OS/c1-9(2)7-18-8-11(4-16-18)17-13(19)15-6-12-5-14-10(3)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,15,17,19)
InChIKeyCNPPKULPJLKVBY-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.63
Rot. Bonds5

About 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 71870216) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID71870216
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2cnn(CC(C)C)c2)s1
InChIInChI=1S/C13H19N5OS/c1-9(2)7-18-8-11(4-16-18)17-13(19)15-6-12-5-14-10(3)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,15,17,19)
InChIKeyCNPPKULPJLKVBY-UHFFFAOYSA-N
XLogP2.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 71870216) is 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)Nc2cnn(CC(C)C)c2)s1.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is CNPPKULPJLKVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9(2)7-18-8-11(4-16-18)17-13(19)15-6-12-5-14-10(3)20-12/h4-5,8-9H,6-7H2,1-3H3,(H2,15,17,19).
What are the key properties of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 293.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 71870216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).