N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H20FN5OS — CID 112761665

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3C(C)C3CC3)cc12
InChIInChI=1S/C21H20FN5OS/c1-12-17-11-18(29-21(17)27(25-12)16-7-5-15(22)6-8-16)20(28)24-19-9-10-23-26(19)13(2)14-3-4-14/h5-11,13-14H,3-4H2,1-2H3,(H,24,28)
InChIKeyCNOHVTPLRCEAEV-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.95
Rot. Bonds5

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 112761665) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID112761665
Molecular FormulaC21H20FN5OS
Molecular Weight409.49 g/mol
Exact Mass409.14
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3C(C)C3CC3)cc12
InChIInChI=1S/C21H20FN5OS/c1-12-17-11-18(29-21(17)27(25-12)16-7-5-15(22)6-8-16)20(28)24-19-9-10-23-26(19)13(2)14-3-4-14/h5-11,13-14H,3-4H2,1-2H3,(H,24,28)
InChIKeyCNOHVTPLRCEAEV-UHFFFAOYSA-N
XLogP4.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 112761665) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3C(C)C3CC3)cc12.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CNOHVTPLRCEAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c1-12-17-11-18(29-21(17)27(25-12)16-7-5-15(22)6-8-16)20(28)24-19-9-10-23-26(19)13(2)14-3-4-14/h5-11,13-14H,3-4H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 112761665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).