N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C20H22N4OS — CID 71797639

IUPACN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCn1nc(CNC(=O)C2(c3cccs3)CCCC2)cc1-c1ccccn1
InChIInChI=1S/C20H22N4OS/c1-24-17(16-7-2-5-11-21-16)13-15(23-24)14-22-19(25)20(9-3-4-10-20)18-8-6-12-26-18/h2,5-8,11-13H,3-4,9-10,14H2,1H3,(H,22,25)
InChIKeySZTAIWYQOWLFEX-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.67
Rot. Bonds5

About N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71797639) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71797639
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCn1nc(CNC(=O)C2(c3cccs3)CCCC2)cc1-c1ccccn1
InChIInChI=1S/C20H22N4OS/c1-24-17(16-7-2-5-11-21-16)13-15(23-24)14-22-19(25)20(9-3-4-10-20)18-8-6-12-26-18/h2,5-8,11-13H,3-4,9-10,14H2,1H3,(H,22,25)
InChIKeySZTAIWYQOWLFEX-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121049351
2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 90556044
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 71797525
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121137407
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90516199

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71797639) is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is Cn1nc(CNC(=O)C2(c3cccs3)CCCC2)cc1-c1ccccn1.
What is the InChIKey of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is SZTAIWYQOWLFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24-17(16-7-2-5-11-21-16)13-15(23-24)14-22-19(25)20(9-3-4-10-20)18-8-6-12-26-18/h2,5-8,11-13H,3-4,9-10,14H2,1H3,(H,22,25).
What are the key properties of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71797639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).