N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H17N5O2 — CID 110742749

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2=NNC(=O)CC2)n1
InChIInChI=1S/C12H17N5O2/c1-8-7-9(2)17(16-8)6-5-13-12(19)10-3-4-11(18)15-14-10/h7H,3-6H2,1-2H3,(H,13,19)(H,15,18)
InChIKeyBDJWJHDZJOXDHP-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.12
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110742749) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110742749
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2=NNC(=O)CC2)n1
InChIInChI=1S/C12H17N5O2/c1-8-7-9(2)17(16-8)6-5-13-12(19)10-3-4-11(18)15-14-10/h7H,3-6H2,1-2H3,(H,13,19)(H,15,18)
InChIKeyBDJWJHDZJOXDHP-UHFFFAOYSA-N
XLogP-0.12
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795817
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742789
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 121016938

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110742749) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2=NNC(=O)CC2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BDJWJHDZJOXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-7-9(2)17(16-8)6-5-13-12(19)10-3-4-11(18)15-14-10/h7H,3-6H2,1-2H3,(H,13,19)(H,15,18).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110742749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).