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

C20H26N4O2S — CID 15995385

IUPACN-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1
InChIInChI=1S/C20H26N4O2S/c1-5-24(6-2)11-10-21-19(25)17-13-16-18(22-23(3)20(16)27-17)14-8-7-9-15(12-14)26-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,25)
InChIKeyKMWZTMVYOZAHLB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.38
Rot. Bonds8

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

N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 15995385) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID15995385
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1
InChIInChI=1S/C20H26N4O2S/c1-5-24(6-2)11-10-21-19(25)17-13-16-18(22-23(3)20(16)27-17)14-8-7-9-15(12-14)26-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,25)
InChIKeyKMWZTMVYOZAHLB-UHFFFAOYSA-N
XLogP3.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 15995385) is N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CC)CCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is KMWZTMVYOZAHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-5-24(6-2)11-10-21-19(25)17-13-16-18(22-23(3)20(16)27-17)14-8-7-9-15(12-14)26-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 15995385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).