N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide

C12H15N5O — CID 146122778

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1ccnnc1
InChIInChI=1S/C12H15N5O/c1-8(11-7-17(3)16-9(11)2)15-12(18)10-4-5-13-14-6-10/h4-8H,1-3H3,(H,15,18)
InChIKeyZWJMXLPZEYOYLK-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.01
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide (PubChem CID 146122778) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
PubChem CID146122778
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1ccnnc1
InChIInChI=1S/C12H15N5O/c1-8(11-7-17(3)16-9(11)2)15-12(18)10-4-5-13-14-6-10/h4-8H,1-3H3,(H,15,18)
InChIKeyZWJMXLPZEYOYLK-UHFFFAOYSA-N
XLogP1.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466850
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635560
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51392315
5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120624555
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide (CID 146122778) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide is Cc1nn(C)cc1C(C)NC(=O)c1ccnnc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
The InChIKey is ZWJMXLPZEYOYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(11-7-17(3)16-9(11)2)15-12(18)10-4-5-13-14-6-10/h4-8H,1-3H3,(H,15,18).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 146122778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).