N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide

C18H17N5OS — CID 46986482

IUPACN-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
SMILESCc1ccc(-c2ccn(CC(=O)Nc3nn(C)c4ccccc34)n2)s1
InChIInChI=1S/C18H17N5OS/c1-12-7-8-16(25-12)14-9-10-23(20-14)11-17(24)19-18-13-5-3-4-6-15(13)22(2)21-18/h3-10H,11H2,1-2H3,(H,19,21,24)
InChIKeyLBQDTULQMKSCCU-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.45
Rot. Bonds4

About N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide

N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide (PubChem CID 46986482) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
PubChem CID46986482
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide
SMILESCc1ccc(-c2ccn(CC(=O)Nc3nn(C)c4ccccc34)n2)s1
InChIInChI=1S/C18H17N5OS/c1-12-7-8-16(25-12)14-9-10-23(20-14)11-17(24)19-18-13-5-3-4-6-15(13)22(2)21-18/h3-10H,11H2,1-2H3,(H,19,21,24)
InChIKeyLBQDTULQMKSCCU-UHFFFAOYSA-N
XLogP3.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide (CID 46986482) is N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide is Cc1ccc(-c2ccn(CC(=O)Nc3nn(C)c4ccccc34)n2)s1.
What is the InChIKey of N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
The InChIKey is LBQDTULQMKSCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-7-8-16(25-12)14-9-10-23(20-14)11-17(24)19-18-13-5-3-4-6-15(13)22(2)21-18/h3-10H,11H2,1-2H3,(H,19,21,24).
What are the key properties of N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide?
N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide has a molecular weight of 351.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-3-yl)-2-[3-(5-methylthiophen-2-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46986482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).