[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone

C15H13N3OS — CID 63346809

IUPAC[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCCn1cc(-c2csc(C(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C15H13N3OS/c1-2-18-9-12(8-16-18)13-10-20-15(17-13)14(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyQELZLBCAEOTJNE-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.26
Rot. Bonds4

About [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone

[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone (PubChem CID 63346809) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
PubChem CID63346809
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
SMILESCCn1cc(-c2csc(C(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C15H13N3OS/c1-2-18-9-12(8-16-18)13-10-20-15(17-13)14(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyQELZLBCAEOTJNE-UHFFFAOYSA-N
XLogP3.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone (CID 63346809) is [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone is CCn1cc(-c2csc(C(=O)c3ccccc3)n2)cn1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
The InChIKey is QELZLBCAEOTJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-18-9-12(8-16-18)13-10-20-15(17-13)14(19)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone?
[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone has a molecular weight of 283.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone is sourced from PubChem (CID 63346809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).