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

C11H14N4O — CID 844596

IUPAC(1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C11H14N4O/c1-7-5-8(2)15(12-7)11(16)10-6-14(4)13-9(10)3/h5-6H,1-4H3
InChIKeyQZMLIBUYMCSKSQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.23
Rot. Bonds1

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

(1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 844596) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID844596
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cn(C)nc2C)n1
InChIInChI=1S/C11H14N4O/c1-7-5-8(2)15(12-7)11(16)10-6-14(4)13-9(10)3/h5-6H,1-4H3
InChIKeyQZMLIBUYMCSKSQ-UHFFFAOYSA-N
XLogP1.23
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
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
(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
(3,5-Dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 671788
(3,5-dimethyl-1H-pyrazol-1-yl)(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanone
CID 19578885
(2-Ethyl-5-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
CID 90186040
Pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone
CID 139236856

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 844596) is (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2cn(C)nc2C)n1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is QZMLIBUYMCSKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-5-8(2)15(12-7)11(16)10-6-14(4)13-9(10)3/h5-6H,1-4H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 218.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 844596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).