3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C19H23ClN4OS — CID 5309397

IUPAC3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C19H23ClN4OS/c1-4-24(5-2)11-10-21-18(25)16-12-15-17(22-23(3)19(15)26-16)13-6-8-14(20)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,25)
InChIKeyWHWPOSROHWRQBH-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.03
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5309397) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5309397
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C19H23ClN4OS/c1-4-24(5-2)11-10-21-18(25)16-12-15-17(22-23(3)19(15)26-16)13-6-8-14(20)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,25)
InChIKeyWHWPOSROHWRQBH-UHFFFAOYSA-N
XLogP4.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.03
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-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 5309397) is 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WHWPOSROHWRQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c1-4-24(5-2)11-10-21-18(25)16-12-15-17(22-23(3)19(15)26-16)13-6-8-14(20)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,25).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 390.94 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5309397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).