(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone

C14H20N4O — CID 114197956

IUPAC(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)c2ccnn2C(C)C)n(CC)n1
InChIInChI=1S/C14H20N4O/c1-5-11-9-13(17(6-2)16-11)14(19)12-7-8-15-18(12)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyJCTWOIMEZQTQJD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.47
Rot. Bonds5

About (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone

(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 114197956) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID114197956
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)c2ccnn2C(C)C)n(CC)n1
InChIInChI=1S/C14H20N4O/c1-5-11-9-13(17(6-2)16-11)14(19)12-7-8-15-18(12)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyJCTWOIMEZQTQJD-UHFFFAOYSA-N
XLogP2.47
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130796
(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
CID 105097408
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
1-(1,3-diethylpyrazol-5-yl)-2-methylpentan-1-one
CID 107891320
(1,3-diethylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085413
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397
(1,3-diethylpyrazol-5-yl)-quinolin-8-ylmethanone
CID 105121799
(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197545
(1,3-diethylpyrazol-5-yl)-(4-propoxyphenyl)methanone
CID 105096952
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone (CID 114197956) is (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone is CCc1cc(C(=O)c2ccnn2C(C)C)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is JCTWOIMEZQTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-5-11-9-13(17(6-2)16-11)14(19)12-7-8-15-18(12)10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone?
(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 114197956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).