N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C13H17N5O2 — CID 86812037

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2n[nH]c(C)c2C)ccc1=O
InChIInChI=1S/C13H17N5O2/c1-4-7-18-11(19)6-5-10(17-18)13(20)14-12-8(2)9(3)15-16-12/h5-6H,4,7H2,1-3H3,(H2,14,15,16,20)
InChIKeyKCDBQJXHIHCFFX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.25
Rot. Bonds4

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 86812037) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID86812037
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2n[nH]c(C)c2C)ccc1=O
InChIInChI=1S/C13H17N5O2/c1-4-7-18-11(19)6-5-10(17-18)13(20)14-12-8(2)9(3)15-16-12/h5-6H,4,7H2,1-3H3,(H2,14,15,16,20)
InChIKeyKCDBQJXHIHCFFX-UHFFFAOYSA-N
XLogP1.25
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 86812037) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2n[nH]c(C)c2C)ccc1=O.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is KCDBQJXHIHCFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-7-18-11(19)6-5-10(17-18)13(20)14-12-8(2)9(3)15-16-12/h5-6H,4,7H2,1-3H3,(H2,14,15,16,20).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 86812037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).