3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

C20H16N4OS — CID 91630221

IUPAC3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H16N4OS/c25-20(18-11-17(23-24-18)14-5-2-1-3-6-14)22-12-15-7-4-9-21-19(15)16-8-10-26-13-16/h1-11,13H,12H2,(H,22,25)(H,23,24)
InChIKeyXCTPZGDHIRMTEQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.13
Rot. Bonds5

About 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91630221) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID91630221
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccsc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H16N4OS/c25-20(18-11-17(23-24-18)14-5-2-1-3-6-14)22-12-15-7-4-9-21-19(15)16-8-10-26-13-16/h1-11,13H,12H2,(H,22,25)(H,23,24)
InChIKeyXCTPZGDHIRMTEQ-UHFFFAOYSA-N
XLogP4.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (CID 91630221) is 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1cccnc1-c1ccsc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XCTPZGDHIRMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-20(18-11-17(23-24-18)14-5-2-1-3-6-14)22-12-15-7-4-9-21-19(15)16-8-10-26-13-16/h1-11,13H,12H2,(H,22,25)(H,23,24).
What are the key properties of 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91630221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).