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

C16H17N3OS — CID 4096088

IUPACN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)cc1
InChIInChI=1S/C16H17N3OS/c1-10-2-6-12(7-3-10)19-15(17-16(20)11-4-5-11)13-8-21-9-14(13)18-19/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)
InChIKeyDCEZQTINAPGQLA-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.28
Rot. Bonds3

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

N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 4096088) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID4096088
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)cc1
InChIInChI=1S/C16H17N3OS/c1-10-2-6-12(7-3-10)19-15(17-16(20)11-4-5-11)13-8-21-9-14(13)18-19/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20)
InChIKeyDCEZQTINAPGQLA-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide (CID 4096088) is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide is Cc1ccc(-n2nc3c(c2NC(=O)C2CC2)CSC3)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is DCEZQTINAPGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-2-6-12(7-3-10)19-15(17-16(20)11-4-5-11)13-8-21-9-14(13)18-19/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 4096088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).