N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide

C22H17N3O2S — CID 8911670

IUPACN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H17N3O2S/c26-22(24-20-11-12-23-25(20)14-15-6-5-13-28-15)21-16-7-1-3-9-18(16)27-19-10-4-2-8-17(19)21/h1-13,21H,14H2,(H,24,26)
InChIKeyISDJFIKJUSFEIG-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.87
Rot. Bonds4

About N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide

N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide (PubChem CID 8911670) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide
PubChem CID8911670
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H17N3O2S/c26-22(24-20-11-12-23-25(20)14-15-6-5-13-28-15)21-16-7-1-3-9-18(16)27-19-10-4-2-8-17(19)21/h1-13,21H,14H2,(H,24,26)
InChIKeyISDJFIKJUSFEIG-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-9H-xanthene-9-carboxamide
CID 7993088
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 17409981
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 94163023
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911576
2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 51064434
3-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 17401208

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide (CID 8911670) is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide is O=C(Nc1ccnn1Cc1cccs1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide?
The InChIKey is ISDJFIKJUSFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-22(24-20-11-12-23-25(20)14-15-6-5-13-28-15)21-16-7-1-3-9-18(16)27-19-10-4-2-8-17(19)21/h1-13,21H,14H2,(H,24,26).
What are the key properties of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide?
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 8911670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).