(4-ethoxyphenyl)-pyrazol-1-ylmethanone

C12H12N2O2 — CID 3502430

IUPAC(4-ethoxyphenyl)-pyrazol-1-ylmethanone
SMILESCCOc1ccc(C(=O)n2cccn2)cc1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-6-4-10(5-7-11)12(15)14-9-3-8-13-14/h3-9H,2H2,1H3
InChIKeyMKCUFLRTPWIQML-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.97
Rot. Bonds3

About (4-ethoxyphenyl)-pyrazol-1-ylmethanone

(4-ethoxyphenyl)-pyrazol-1-ylmethanone (PubChem CID 3502430) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (4-ethoxyphenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-pyrazol-1-ylmethanone
PubChem CID3502430
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(4-ethoxyphenyl)-pyrazol-1-ylmethanone
SMILESCCOc1ccc(C(=O)n2cccn2)cc1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-6-4-10(5-7-11)12(15)14-9-3-8-13-14/h3-9H,2H2,1H3
InChIKeyMKCUFLRTPWIQML-UHFFFAOYSA-N
XLogP1.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535309
(3,4-dimethylphenyl)-pyrazol-1-ylmethanone
CID 4592598
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3-amino-1,2,4-triazol-4-yl)-(4-ethoxyphenyl)methanone
CID 891558
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
2-(4-ethoxyphenyl)-2-oxoacetic acid
CID 5054841
(4-ethoxyphenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103124416
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 47140397

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-ethoxyphenyl)-pyrazol-1-ylmethanone (CID 3502430) is (4-ethoxyphenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-ethoxyphenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-ethoxyphenyl)-pyrazol-1-ylmethanone is CCOc1ccc(C(=O)n2cccn2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-pyrazol-1-ylmethanone?
The InChIKey is MKCUFLRTPWIQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-11-6-4-10(5-7-11)12(15)14-9-3-8-13-14/h3-9H,2H2,1H3.
What are the key properties of (4-ethoxyphenyl)-pyrazol-1-ylmethanone?
(4-ethoxyphenyl)-pyrazol-1-ylmethanone has a molecular weight of 216.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 3502430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).