N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide

C13H17N5O — CID 77095486

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccnnc2)n1
InChIInChI=1S/C13H17N5O/c1-10-8-11(2)18(17-10)7-3-5-14-13(19)12-4-6-15-16-9-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19)
InChIKeyMLISXGYIDJYCPB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.11
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide (PubChem CID 77095486) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
PubChem CID77095486
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccnnc2)n1
InChIInChI=1S/C13H17N5O/c1-10-8-11(2)18(17-10)7-3-5-14-13(19)12-4-6-15-16-9-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19)
InChIKeyMLISXGYIDJYCPB-UHFFFAOYSA-N
XLogP1.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
6-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 47080116
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072536
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide (CID 77095486) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccnnc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide?
The InChIKey is MLISXGYIDJYCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-8-11(2)18(17-10)7-3-5-14-13(19)12-4-6-15-16-9-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,19).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide is sourced from PubChem (CID 77095486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).