N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C18H18N4O2S — CID 2407483

IUPACN-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H18N4O2S/c23-18(20-21-8-10-24-11-9-21)15-13-22(14-5-2-1-3-6-14)19-17(15)16-7-4-12-25-16/h1-7,12-13H,8-11H2,(H,20,23)
InChIKeyRTGBBZCIMNFARL-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.58
Rot. Bonds4

About N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2407483) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2407483
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H18N4O2S/c23-18(20-21-8-10-24-11-9-21)15-13-22(14-5-2-1-3-6-14)19-17(15)16-7-4-12-25-16/h1-7,12-13H,8-11H2,(H,20,23)
InChIKeyRTGBBZCIMNFARL-UHFFFAOYSA-N
XLogP2.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2407483) is N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is RTGBBZCIMNFARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-18(20-21-8-10-24-11-9-21)15-13-22(14-5-2-1-3-6-14)19-17(15)16-7-4-12-25-16/h1-7,12-13H,8-11H2,(H,20,23).
What are the key properties of N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2407483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).