(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone

C11H14N4O — CID 102811630

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H14N4O/c1-4-10-9(7-15(3)13-10)11(16)8-5-12-14(2)6-8/h5-7H,4H2,1-3H3
InChIKeyWRLYQRONRSRMPP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.95
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone

(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 102811630) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID102811630
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H14N4O/c1-4-10-9(7-15(3)13-10)11(16)8-5-12-14(2)6-8/h5-7H,4H2,1-3H3
InChIKeyWRLYQRONRSRMPP-UHFFFAOYSA-N
XLogP0.95
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963914
(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone
CID 102811693
(3-ethyl-1-methylpyrazol-4-yl)-(5-methylthiophen-3-yl)methanone
CID 102811750
(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 102811706
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanone
CID 102811727
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methylprop-2-en-1-one
CID 102811784
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 102810659
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
(1-methylpyrazol-4-yl)-(2-methylthiophen-3-yl)methanone
CID 102830803
[2-(2-aminoethyl)phenyl]-(1-methylpyrazol-4-yl)methanone
CID 116577364

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone (CID 102811630) is (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone is CCc1nn(C)cc1C(=O)c1cnn(C)c1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is WRLYQRONRSRMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-4-10-9(7-15(3)13-10)11(16)8-5-12-14(2)6-8/h5-7H,4H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone?
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 218.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 102811630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).