N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide

C19H15N3OS — CID 1245129

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1csc2ccccc12
InChIInChI=1S/C19H15N3OS/c23-19(17-13-24-18-8-2-1-7-16(17)18)21-15-6-3-5-14(11-15)12-22-10-4-9-20-22/h1-11,13H,12H2,(H,21,23)
InChIKeyZMQOOUUUBNMXME-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.40
Rot. Bonds4

About N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide

N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide (PubChem CID 1245129) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide
PubChem CID1245129
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1csc2ccccc12
InChIInChI=1S/C19H15N3OS/c23-19(17-13-24-18-8-2-1-7-16(17)18)21-15-6-3-5-14(11-15)12-22-10-4-9-20-22/h1-11,13H,12H2,(H,21,23)
InChIKeyZMQOOUUUBNMXME-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Aminophenyl)-4-(1-(2-(3-thienyl)ethyl)-1H-1,2,3-triazol-4-yl)benzamide
CID 71721946
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
1H-Pyrazole-4-carboxamide, N-2-naphthalenyl-1-phenyl-3-(2-thienyl)-
CID 2308236
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
1-Methyl-5-(2-methyl-1-benzothiophen-3-yl)pyrazole-3-carboxamide
CID 118715045

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide (CID 1245129) is N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)c1csc2ccccc12.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide?
The InChIKey is ZMQOOUUUBNMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(17-13-24-18-8-2-1-7-16(17)18)21-15-6-3-5-14(11-15)12-22-10-4-9-20-22/h1-11,13H,12H2,(H,21,23).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 1245129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).