N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide

C22H21N5O3 — CID 136614882

IUPACN-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C22H21N5O3/c1-14(2)16-13-21(29)25-22(23-16)27-19(12-17(26-27)18-9-6-10-30-18)24-20(28)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyQTPIMQCPRLOQDN-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide

N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide (PubChem CID 136614882) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide
PubChem CID136614882
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C22H21N5O3/c1-14(2)16-13-21(29)25-22(23-16)27-19(12-17(26-27)18-9-6-10-30-18)24-20(28)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyQTPIMQCPRLOQDN-UHFFFAOYSA-N
XLogP3.52
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide (CID 136614882) is N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide is CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide?
The InChIKey is QTPIMQCPRLOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14(2)16-13-21(29)25-22(23-16)27-19(12-17(26-27)18-9-6-10-30-18)24-20(28)11-15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,24,28)(H,23,25,29).
What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide?
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide has a molecular weight of 403.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 136614882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).