3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C20H23ClN4OS — CID 5309908

IUPAC3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C20H23ClN4OS/c1-3-25-10-4-5-15(25)12-22-19(26)17-11-16-18(23-24(2)20(16)27-17)13-6-8-14(21)9-7-13/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,22,26)
InChIKeyPCJHPJKWAQUXIC-UHFFFAOYSA-N
MW402.95 g/mol
LogP4.17
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5309908) has the molecular formula C20H23ClN4OS and a molecular weight of 402.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5309908
Molecular FormulaC20H23ClN4OS
Molecular Weight402.95 g/mol
Exact Mass402.13
IUPAC Name3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C20H23ClN4OS/c1-3-25-10-4-5-15(25)12-22-19(26)17-11-16-18(23-24(2)20(16)27-17)13-6-8-14(21)9-7-13/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,22,26)
InChIKeyPCJHPJKWAQUXIC-UHFFFAOYSA-N
XLogP4.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 5309908) is 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN1CCCC1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is PCJHPJKWAQUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4OS/c1-3-25-10-4-5-15(25)12-22-19(26)17-11-16-18(23-24(2)20(16)27-17)13-6-8-14(21)9-7-13/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,22,26).
What are the key properties of 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 402.95 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5309908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).