2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide

C23H25N5O2 — CID 135892225

IUPAC2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C23H25N5O2/c29-21(12-15-6-4-5-7-15)25-20-13-19(17-10-11-17)27-28(20)23-24-18(14-22(30)26-23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,25,29)(H,24,26,30)
InChIKeyICOWTIKUGSJMFK-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.02
Rot. Bonds6

About 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide

2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide (PubChem CID 135892225) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
PubChem CID135892225
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C23H25N5O2/c29-21(12-15-6-4-5-7-15)25-20-13-19(17-10-11-17)27-28(20)23-24-18(14-22(30)26-23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,25,29)(H,24,26,30)
InChIKeyICOWTIKUGSJMFK-UHFFFAOYSA-N
XLogP4.02
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide (CID 135892225) is 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide is O=C(CC1CCCC1)Nc1cc(C2CC2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is ICOWTIKUGSJMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-21(12-15-6-4-5-7-15)25-20-13-19(17-10-11-17)27-28(20)23-24-18(14-22(30)26-23)16-8-2-1-3-9-16/h1-3,8-9,13-15,17H,4-7,10-12H2,(H,25,29)(H,24,26,30).
What are the key properties of 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide?
2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 135892225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).