N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide

C20H20N4OS — CID 164628898

IUPACN-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(CN2c3ccccc3Sc3ccccc32)cn1
InChIInChI=1S/C20H20N4OS/c1-2-21-20(25)14-23-12-15(11-22-23)13-24-16-7-3-5-9-18(16)26-19-10-6-4-8-17(19)24/h3-12H,2,13-14H2,1H3,(H,21,25)
InChIKeyTZHFVCKYWOELQK-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.82
Rot. Bonds5

About N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide

N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide (PubChem CID 164628898) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide
PubChem CID164628898
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(CN2c3ccccc3Sc3ccccc32)cn1
InChIInChI=1S/C20H20N4OS/c1-2-21-20(25)14-23-12-15(11-22-23)13-24-16-7-3-5-9-18(16)26-19-10-6-4-8-17(19)24/h3-12H,2,13-14H2,1H3,(H,21,25)
InChIKeyTZHFVCKYWOELQK-UHFFFAOYSA-N
XLogP3.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide (CID 164628898) is N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide is CCNC(=O)Cn1cc(CN2c3ccccc3Sc3ccccc32)cn1.
What is the InChIKey of N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
The InChIKey is TZHFVCKYWOELQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-2-21-20(25)14-23-12-15(11-22-23)13-24-16-7-3-5-9-18(16)26-19-10-6-4-8-17(19)24/h3-12H,2,13-14H2,1H3,(H,21,25).
What are the key properties of N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 164628898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).