N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

C18H20N6OS — CID 71797558

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C18H20N6OS/c1-12-17(26-23-21-12)18(25)20-11-14-10-16(13-6-8-19-9-7-13)24(22-14)15-4-2-3-5-15/h6-10,15H,2-5,11H2,1H3,(H,20,25)
InChIKeyBHLJTMBSMZBOJI-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.15
Rot. Bonds5

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 71797558) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID71797558
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C18H20N6OS/c1-12-17(26-23-21-12)18(25)20-11-14-10-16(13-6-8-19-9-7-13)24(22-14)15-4-2-3-5-15/h6-10,15H,2-5,11H2,1H3,(H,20,25)
InChIKeyBHLJTMBSMZBOJI-UHFFFAOYSA-N
XLogP3.15
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (CID 71797558) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is BHLJTMBSMZBOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-17(26-23-21-12)18(25)20-11-14-10-16(13-6-8-19-9-7-13)24(22-14)15-4-2-3-5-15/h6-10,15H,2-5,11H2,1H3,(H,20,25).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 71797558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).