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

C19H18N4OS — CID 164614037

IUPACN-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(CN2c3ccccc3Sc3ccccc32)cn1
InChIInChI=1S/C19H18N4OS/c1-20-19(24)13-22-11-14(10-21-22)12-23-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)23/h2-11H,12-13H2,1H3,(H,20,24)
InChIKeyAPYCTXOVSNUUBN-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.43
Rot. Bonds4

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

N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide (PubChem CID 164614037) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide
PubChem CID164614037
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(CN2c3ccccc3Sc3ccccc32)cn1
InChIInChI=1S/C19H18N4OS/c1-20-19(24)13-22-11-14(10-21-22)12-23-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)23/h2-11H,12-13H2,1H3,(H,20,24)
InChIKeyAPYCTXOVSNUUBN-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide (CID 164614037) is N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(CN2c3ccccc3Sc3ccccc32)cn1.
What is the InChIKey of N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
The InChIKey is APYCTXOVSNUUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-20-19(24)13-22-11-14(10-21-22)12-23-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)23/h2-11H,12-13H2,1H3,(H,20,24).
What are the key properties of N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide?
N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide has a molecular weight of 350.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(phenothiazin-10-ylmethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 164614037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).