3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide

C23H27N5O3 — CID 136615328

IUPAC3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H27N5O3/c29-21(12-11-15-6-2-1-3-7-15)25-20-14-18(19-10-5-13-31-19)27-28(20)23-24-17-9-4-8-16(17)22(30)26-23/h5,10,13-15H,1-4,6-9,11-12H2,(H,25,29)(H,24,26,30)
InChIKeyCITUKORMOFHCAI-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.00
Rot. Bonds6

About 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide

3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide (PubChem CID 136615328) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide
PubChem CID136615328
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H27N5O3/c29-21(12-11-15-6-2-1-3-7-15)25-20-14-18(19-10-5-13-31-19)27-28(20)23-24-17-9-4-8-16(17)22(30)26-23/h5,10,13-15H,1-4,6-9,11-12H2,(H,25,29)(H,24,26,30)
InChIKeyCITUKORMOFHCAI-UHFFFAOYSA-N
XLogP4.00
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide with MolForge

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Related Compounds

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide
CID 136615468
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-phenoxyacetamide
CID 136615395
3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136614810
3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 135955368
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 136615401
4-tert-butyl-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]benzamide
CID 136615494
4-bromo-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615366
N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 136615559
N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 136615557
2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide
CID 136615565
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(trifluoromethyl)benzamide
CID 136615383
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136615461

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide (CID 136615328) is 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide is O=C(CCC1CCCCC1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The InChIKey is CITUKORMOFHCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c29-21(12-11-15-6-2-1-3-7-15)25-20-14-18(19-10-5-13-31-19)27-28(20)23-24-17-9-4-8-16(17)22(30)26-23/h5,10,13-15H,1-4,6-9,11-12H2,(H,25,29)(H,24,26,30).
What are the key properties of 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide?
3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 136615328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).