N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide

C19H20N4OS — CID 90555885

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccsc1
InChIInChI=1S/C19H20N4OS/c24-19(14-8-10-25-13-14)21-12-15-11-18(17-7-3-4-9-20-17)23(22-15)16-5-1-2-6-16/h3-4,7-11,13,16H,1-2,5-6,12H2,(H,21,24)
InChIKeyVKAVOHUEKIMRAU-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.05
Rot. Bonds5

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

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 90555885) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide
PubChem CID90555885
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccsc1
InChIInChI=1S/C19H20N4OS/c24-19(14-8-10-25-13-14)21-12-15-11-18(17-7-3-4-9-20-17)23(22-15)16-5-1-2-6-16/h3-4,7-11,13,16H,1-2,5-6,12H2,(H,21,24)
InChIKeyVKAVOHUEKIMRAU-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
4-bromo-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzamide
CID 90556015
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555898
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 90555911
1-(1-adamantyl)-3-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90556216
2-chloro-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 90556018
2-chloro-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 90556020
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555989
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 90555944
1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 90556044
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90556050

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide (CID 90555885) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide is O=C(NCc1cc(-c2ccccn2)n(C2CCCC2)n1)c1ccsc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is VKAVOHUEKIMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19(14-8-10-25-13-14)21-12-15-11-18(17-7-3-4-9-20-17)23(22-15)16-5-1-2-6-16/h3-4,7-11,13,16H,1-2,5-6,12H2,(H,21,24).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 90555885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).