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

C19H27N5OS — CID 92637058

IUPAC3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nccs2)c(CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C19H27N5OS/c1-23-13-16(18(25)21-19-20-8-11-26-19)17(22-23)12-14-6-9-24(10-7-14)15-4-2-3-5-15/h8,11,13-15H,2-7,9-10,12H2,1H3,(H,20,21,25)
InChIKeyYLMPNYOXISTKPD-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.33
Rot. Bonds5

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

3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 92637058) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID92637058
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nccs2)c(CC2CCN(C3CCCC3)CC2)n1
InChIInChI=1S/C19H27N5OS/c1-23-13-16(18(25)21-19-20-8-11-26-19)17(22-23)12-14-6-9-24(10-7-14)15-4-2-3-5-15/h8,11,13-15H,2-7,9-10,12H2,1H3,(H,20,21,25)
InChIKeyYLMPNYOXISTKPD-UHFFFAOYSA-N
XLogP3.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 92637058) is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C3CCCC3)CC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is YLMPNYOXISTKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-23-13-16(18(25)21-19-20-8-11-26-19)17(22-23)12-14-6-9-24(10-7-14)15-4-2-3-5-15/h8,11,13-15H,2-7,9-10,12H2,1H3,(H,20,21,25).
What are the key properties of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 373.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 92637058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).