3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide

C18H25N7O2 — CID 139011341

IUPAC3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide
SMILESCCn1cc(CC(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cn1
InChIInChI=1S/C18H25N7O2/c1-4-25-11-14(10-20-25)9-15(26)23-5-7-24(8-6-23)18-16(17(19)27)12(2)13(3)21-22-18/h10-11H,4-9H2,1-3H3,(H2,19,27)
InChIKeyGGKAXRMRRMZRAO-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.30
Rot. Bonds5

About 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide

3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide (PubChem CID 139011341) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide
PubChem CID139011341
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide
SMILESCCn1cc(CC(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cn1
InChIInChI=1S/C18H25N7O2/c1-4-25-11-14(10-20-25)9-15(26)23-5-7-24(8-6-23)18-16(17(19)27)12(2)13(3)21-22-18/h10-11H,4-9H2,1-3H3,(H2,19,27)
InChIKeyGGKAXRMRRMZRAO-UHFFFAOYSA-N
XLogP0.30
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide (CID 139011341) is 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide is CCn1cc(CC(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cn1.
What is the InChIKey of 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide?
The InChIKey is GGKAXRMRRMZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-4-25-11-14(10-20-25)9-15(26)23-5-7-24(8-6-23)18-16(17(19)27)12(2)13(3)21-22-18/h10-11H,4-9H2,1-3H3,(H2,19,27).
What are the key properties of 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide?
3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-ethylpyrazol-4-yl)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 139011341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).