(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone

C21H18N4O2S — CID 133081354

IUPAC(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1cccs1
InChIInChI=1S/C21H18N4O2S/c1-27-19-10-3-2-8-16(19)21(26)25-20(23-14-15-7-6-12-28-15)13-18(24-25)17-9-4-5-11-22-17/h2-13,23H,14H2,1H3
InChIKeyLUXBPHZBKWRWJS-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.32
Rot. Bonds6

About (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone

(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone (PubChem CID 133081354) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone
PubChem CID133081354
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone
SMILESCOc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1cccs1
InChIInChI=1S/C21H18N4O2S/c1-27-19-10-3-2-8-16(19)21(26)25-20(23-14-15-7-6-12-28-15)13-18(24-25)17-9-4-5-11-22-17/h2-13,23H,14H2,1H3
InChIKeyLUXBPHZBKWRWJS-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone (CID 133081354) is (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone is COc1ccccc1C(=O)n1nc(-c2ccccn2)cc1NCc1cccs1.
What is the InChIKey of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone?
The InChIKey is LUXBPHZBKWRWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-19-10-3-2-8-16(19)21(26)25-20(23-14-15-7-6-12-28-15)13-18(24-25)17-9-4-5-11-22-17/h2-13,23H,14H2,1H3.
What are the key properties of (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone?
(2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone has a molecular weight of 390.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-pyridin-2-yl-5-(thiophen-2-ylmethylamino)pyrazol-1-yl]methanone is sourced from PubChem (CID 133081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).