(3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone

C12H16N4O — CID 19578885

IUPAC(3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone
SMILESCCn1ncc(C(=O)n2nc(C)cc2C)c1C
InChIInChI=1S/C12H16N4O/c1-5-15-10(4)11(7-13-15)12(17)16-9(3)6-8(2)14-16/h6-7H,5H2,1-4H3
InChIKeyBQAWTDUKJUXHIW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.71
Rot. Bonds2

About (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone

(3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone (PubChem CID 19578885) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone
PubChem CID19578885
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone
SMILESCCn1ncc(C(=O)n2nc(C)cc2C)c1C
InChIInChI=1S/C12H16N4O/c1-5-15-10(4)11(7-13-15)12(17)16-9(3)6-8(2)14-16/h6-7H,5H2,1-4H3
InChIKeyBQAWTDUKJUXHIW-UHFFFAOYSA-N
XLogP1.71
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 50979144
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53617276
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
(5-Cyclopropyl-1-methylpyrazol-4-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56779589
(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 56889070
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72874137
1,3-Bis(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 102166635
Pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone
CID 139236856
(4-methyl-1H-pyrazol-1-yl)[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 4772351

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone (CID 19578885) is (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone is CCn1ncc(C(=O)n2nc(C)cc2C)c1C.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The InChIKey is BQAWTDUKJUXHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-5-15-10(4)11(7-13-15)12(17)16-9(3)6-8(2)14-16/h6-7H,5H2,1-4H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone has a molecular weight of 232.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(1-ethyl-5-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 19578885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).