N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide

C18H18N4OS — CID 137491301

IUPACN-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)s1
InChIInChI=1S/C18H18N4OS/c1-11-3-4-13(18(23)21-15-5-6-15)7-16(11)14-8-20-22(10-14)17-9-19-12(2)24-17/h3-4,7-10,15H,5-6H2,1-2H3,(H,21,23)
InChIKeyYEOHWYCVILNYQB-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.50
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (PubChem CID 137491301) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
PubChem CID137491301
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide
SMILESCc1ncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)s1
InChIInChI=1S/C18H18N4OS/c1-11-3-4-13(18(23)21-15-5-6-15)7-16(11)14-8-20-22(10-14)17-9-19-12(2)24-17/h3-4,7-10,15H,5-6H2,1-2H3,(H,21,23)
InChIKeyYEOHWYCVILNYQB-UHFFFAOYSA-N
XLogP3.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide (CID 137491301) is N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is Cc1ncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)s1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
The InChIKey is YEOHWYCVILNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-11-3-4-13(18(23)21-15-5-6-15)7-16(11)14-8-20-22(10-14)17-9-19-12(2)24-17/h3-4,7-10,15H,5-6H2,1-2H3,(H,21,23).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide has a molecular weight of 338.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(2-methyl-1,3-thiazol-5-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 137491301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).