6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide

C17H17N5O2 — CID 38779391

IUPAC6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)ccc1=O
InChIInChI=1S/C17H17N5O2/c1-2-11-22-16(23)8-7-15(21-22)17(24)19-13-5-3-12(4-6-13)14-9-10-18-20-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,24)
InChIKeySZCYTCVFKXVOSS-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.30
Rot. Bonds5

About 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide

6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 38779391) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide
PubChem CID38779391
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)ccc1=O
InChIInChI=1S/C17H17N5O2/c1-2-11-22-16(23)8-7-15(21-22)17(24)19-13-5-3-12(4-6-13)14-9-10-18-20-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,24)
InChIKeySZCYTCVFKXVOSS-UHFFFAOYSA-N
XLogP2.30
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide (CID 38779391) is 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SZCYTCVFKXVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-2-11-22-16(23)8-7-15(21-22)17(24)19-13-5-3-12(4-6-13)14-9-10-18-20-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,24).
What are the key properties of 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 38779391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).