N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide

C17H14N4O2S — CID 71982630

IUPACN-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C#N)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N4O2S/c1-23-14-7-16(24-11-14)17(22)20-15(8-18)12-9-19-21(10-12)13-5-3-2-4-6-13/h2-7,9-11,15H,1H3,(H,20,22)
InChIKeyGIDNEVHVCMYPTR-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.94
Rot. Bonds5

About N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide

N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 71982630) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide
PubChem CID71982630
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NC(C#N)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H14N4O2S/c1-23-14-7-16(24-11-14)17(22)20-15(8-18)12-9-19-21(10-12)13-5-3-2-4-6-13/h2-7,9-11,15H,1H3,(H,20,22)
InChIKeyGIDNEVHVCMYPTR-UHFFFAOYSA-N
XLogP2.94
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide (CID 71982630) is N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NC(C#N)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is GIDNEVHVCMYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-23-14-7-16(24-11-14)17(22)20-15(8-18)12-9-19-21(10-12)13-5-3-2-4-6-13/h2-7,9-11,15H,1H3,(H,20,22).
What are the key properties of N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide?
N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(1-phenylpyrazol-4-yl)methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 71982630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).