2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

C12H14ClN5 — CID 79867206

IUPAC2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC1(C)CCc2nn(-c3ccc(Cl)nn3)c(N)c21
InChIInChI=1S/C12H14ClN5/c1-12(2)6-5-7-10(12)11(14)18(17-7)9-4-3-8(13)15-16-9/h3-4H,5-6,14H2,1-2H3
InChIKeyWNOGMUMXLPHLIK-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.12
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (PubChem CID 79867206) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
PubChem CID79867206
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC1(C)CCc2nn(-c3ccc(Cl)nn3)c(N)c21
InChIInChI=1S/C12H14ClN5/c1-12(2)6-5-7-10(12)11(14)18(17-7)9-4-3-8(13)15-16-9/h3-4H,5-6,14H2,1-2H3
InChIKeyWNOGMUMXLPHLIK-UHFFFAOYSA-N
XLogP2.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (CID 79867206) is 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is CC1(C)CCc2nn(-c3ccc(Cl)nn3)c(N)c21.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The InChIKey is WNOGMUMXLPHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-12(2)6-5-7-10(12)11(14)18(17-7)9-4-3-8(13)15-16-9/h3-4H,5-6,14H2,1-2H3.
What are the key properties of 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine has a molecular weight of 263.73 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-4,4-dimethyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 79867206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).