1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C18H25N5O2S — CID 92638058

IUPAC1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1
InChIInChI=1S/C18H25N5O2S/c1-12(2)17(25)23-7-4-13(5-8-23)10-15-14(11-22(3)21-15)16(24)20-18-19-6-9-26-18/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,19,20,24)
InChIKeyHJNHIHMGXRPQBQ-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.57
Rot. Bonds5

About 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 92638058) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID92638058
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCC(C)C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1
InChIInChI=1S/C18H25N5O2S/c1-12(2)17(25)23-7-4-13(5-8-23)10-15-14(11-22(3)21-15)16(24)20-18-19-6-9-26-18/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,19,20,24)
InChIKeyHJNHIHMGXRPQBQ-UHFFFAOYSA-N
XLogP2.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 92638058) is 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is CC(C)C(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is HJNHIHMGXRPQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-12(2)17(25)23-7-4-13(5-8-23)10-15-14(11-22(3)21-15)16(24)20-18-19-6-9-26-18/h6,9,11-13H,4-5,7-8,10H2,1-3H3,(H,19,20,24).
What are the key properties of 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 92638058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).