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

C22H30N4O — CID 90555898

IUPAC3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C22H30N4O/c27-22(13-12-17-7-1-2-8-17)24-16-18-15-21(20-11-5-6-14-23-20)26(25-18)19-9-3-4-10-19/h5-6,11,14-15,17,19H,1-4,7-10,12-13,16H2,(H,24,27)
InChIKeyXFFDKUZHVFCGFX-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.65
Rot. Bonds7

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

3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide (PubChem CID 90555898) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
PubChem CID90555898
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C22H30N4O/c27-22(13-12-17-7-1-2-8-17)24-16-18-15-21(20-11-5-6-14-23-20)26(25-18)19-9-3-4-10-19/h5-6,11,14-15,17,19H,1-4,7-10,12-13,16H2,(H,24,27)
InChIKeyXFFDKUZHVFCGFX-UHFFFAOYSA-N
XLogP4.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 90555911
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
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
1-(1-adamantyl)-3-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90556216
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-3-carboxamide
CID 90555885
1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 90556044
3-cyclopentyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
CID 90569470
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide (CID 90555898) is 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide is O=C(CCC1CCCC1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1.
What is the InChIKey of 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
The InChIKey is XFFDKUZHVFCGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c27-22(13-12-17-7-1-2-8-17)24-16-18-15-21(20-11-5-6-14-23-20)26(25-18)19-9-3-4-10-19/h5-6,11,14-15,17,19H,1-4,7-10,12-13,16H2,(H,24,27).
What are the key properties of 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide?
3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 90555898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).