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

C15H15N5O2S — CID 121119294

IUPACN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cc(-c3cccs3)[nH]n2)cn1
InChIInChI=1S/C15H15N5O2S/c1-10-7-14(21)20(9-17-10)5-4-16-15(22)12-8-11(18-19-12)13-3-2-6-23-13/h2-3,6-9H,4-5H2,1H3,(H,16,22)(H,18,19)
InChIKeyCERQXAIQJYSTPZ-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.43
Rot. Bonds5

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

N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 121119294) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID121119294
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2cc(-c3cccs3)[nH]n2)cn1
InChIInChI=1S/C15H15N5O2S/c1-10-7-14(21)20(9-17-10)5-4-16-15(22)12-8-11(18-19-12)13-3-2-6-23-13/h2-3,6-9H,4-5H2,1H3,(H,16,22)(H,18,19)
InChIKeyCERQXAIQJYSTPZ-UHFFFAOYSA-N
XLogP1.43
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 121119294) is N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1cc(=O)n(CCNC(=O)c2cc(-c3cccs3)[nH]n2)cn1.
What is the InChIKey of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is CERQXAIQJYSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-7-14(21)20(9-17-10)5-4-16-15(22)12-8-11(18-19-12)13-3-2-6-23-13/h2-3,6-9H,4-5H2,1H3,(H,16,22)(H,18,19).
What are the key properties of N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121119294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).