N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide

C17H16N6OS — CID 27378389

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)n1
InChIInChI=1S/C17H16N6OS/c1-3-22-9-8-13(21-22)16(24)19-15-10-11(2)20-23(15)17-18-12-6-4-5-7-14(12)25-17/h4-10H,3H2,1-2H3,(H,19,24)
InChIKeyOYCPECCICPDVCQ-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.26
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 27378389) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID27378389
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)n1
InChIInChI=1S/C17H16N6OS/c1-3-22-9-8-13(21-22)16(24)19-15-10-11(2)20-23(15)17-18-12-6-4-5-7-14(12)25-17/h4-10H,3H2,1-2H3,(H,19,24)
InChIKeyOYCPECCICPDVCQ-UHFFFAOYSA-N
XLogP3.26
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (CID 27378389) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is OYCPECCICPDVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-3-22-9-8-13(21-22)16(24)19-15-10-11(2)20-23(15)17-18-12-6-4-5-7-14(12)25-17/h4-10H,3H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 27378389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).