2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C19H16ClN3OS — CID 4577716

IUPAC2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Cl)CSC2
InChIInChI=1S/C19H16ClN3OS/c1-12-6-2-5-9-17(12)23-18(14-10-25-11-16(14)22-23)21-19(24)13-7-3-4-8-15(13)20/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyPXZWFHVNMGTNCO-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.83
Rot. Bonds3

About 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 4577716) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID4577716
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Cl)CSC2
InChIInChI=1S/C19H16ClN3OS/c1-12-6-2-5-9-17(12)23-18(14-10-25-11-16(14)22-23)21-19(24)13-7-3-4-8-15(13)20/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyPXZWFHVNMGTNCO-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 4577716) is 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Cl)CSC2.
What is the InChIKey of 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is PXZWFHVNMGTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c1-12-6-2-5-9-17(12)23-18(14-10-25-11-16(14)22-23)21-19(24)13-7-3-4-8-15(13)20/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 369.88 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 4577716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).