N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C20H17N5O2S — CID 56724540

IUPACN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H17N5O2S/c26-19-12-15(14-5-2-1-3-6-14)22-13-25(19)9-8-21-20(27)17-11-16(23-24-17)18-7-4-10-28-18/h1-7,10-13H,8-9H2,(H,21,27)(H,23,24)
InChIKeyVGNHRAPGVYUIJZ-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56724540) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56724540
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H17N5O2S/c26-19-12-15(14-5-2-1-3-6-14)22-13-25(19)9-8-21-20(27)17-11-16(23-24-17)18-7-4-10-28-18/h1-7,10-13H,8-9H2,(H,21,27)(H,23,24)
InChIKeyVGNHRAPGVYUIJZ-UHFFFAOYSA-N
XLogP2.79
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 56724540) is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is VGNHRAPGVYUIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-19-12-15(14-5-2-1-3-6-14)22-13-25(19)9-8-21-20(27)17-11-16(23-24-17)18-7-4-10-28-18/h1-7,10-13H,8-9H2,(H,21,27)(H,23,24).
What are the key properties of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56724540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).