3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide

C22H24N4OS — CID 118305235

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide
SMILESCn1nc(-c2cccs2)cc1NC(=O)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C22H24N4OS/c1-26-21(12-19(25-26)20-6-3-9-28-20)24-22(27)16-5-2-4-15(10-16)17-11-18(17)23-13-14-7-8-14/h2-6,9-10,12,14,17-18,23H,7-8,11,13H2,1H3,(H,24,27)
InChIKeyXBBJWJRVHVGTNP-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.26
Rot. Bonds7

About 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide (PubChem CID 118305235) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide
PubChem CID118305235
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide
SMILESCn1nc(-c2cccs2)cc1NC(=O)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C22H24N4OS/c1-26-21(12-19(25-26)20-6-3-9-28-20)24-22(27)16-5-2-4-15(10-16)17-11-18(17)23-13-14-7-8-14/h2-6,9-10,12,14,17-18,23H,7-8,11,13H2,1H3,(H,24,27)
InChIKeyXBBJWJRVHVGTNP-UHFFFAOYSA-N
XLogP4.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide (CID 118305235) is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide is Cn1nc(-c2cccs2)cc1NC(=O)c1cccc(C2CC2NCC2CC2)c1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide?
The InChIKey is XBBJWJRVHVGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-26-21(12-19(25-26)20-6-3-9-28-20)24-22(27)16-5-2-4-15(10-16)17-11-18(17)23-13-14-7-8-14/h2-6,9-10,12,14,17-18,23H,7-8,11,13H2,1H3,(H,24,27).
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide?
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide has a molecular weight of 392.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 118305235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).