3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C10H11N5O — CID 138504587

IUPAC3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCC1(C)N=NC=C1C(=O)Nc1ccnnc1
InChIInChI=1S/C10H11N5O/c1-10(2)8(6-13-15-10)9(16)14-7-3-4-11-12-5-7/h3-6H,1-2H3,(H,11,14,16)
InChIKeySGZPAZUFUVHUNO-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.54
Rot. Bonds2

About 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 138504587) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID138504587
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCC1(C)N=NC=C1C(=O)Nc1ccnnc1
InChIInChI=1S/C10H11N5O/c1-10(2)8(6-13-15-10)9(16)14-7-3-4-11-12-5-7/h3-6H,1-2H3,(H,11,14,16)
InChIKeySGZPAZUFUVHUNO-UHFFFAOYSA-N
XLogP1.54
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 138504587) is 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is CC1(C)N=NC=C1C(=O)Nc1ccnnc1.
What is the InChIKey of 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is SGZPAZUFUVHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-10(2)8(6-13-15-10)9(16)14-7-3-4-11-12-5-7/h3-6H,1-2H3,(H,11,14,16).
What are the key properties of 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 138504587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).