4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

C13H16N4 — CID 79865312

IUPAC4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC1(C)CCc2nn(-c3ccccn3)c(N)c21
InChIInChI=1S/C13H16N4/c1-13(2)7-6-9-11(13)12(14)17(16-9)10-5-3-4-8-15-10/h3-5,8H,6-7,14H2,1-2H3
InChIKeyMNKBZDAVDRGJOY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.07
Rot. Bonds1

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

4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (PubChem CID 79865312) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
PubChem CID79865312
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC1(C)CCc2nn(-c3ccccn3)c(N)c21
InChIInChI=1S/C13H16N4/c1-13(2)7-6-9-11(13)12(14)17(16-9)10-5-3-4-8-15-10/h3-5,8H,6-7,14H2,1-2H3
InChIKeyMNKBZDAVDRGJOY-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The IUPAC name of 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (CID 79865312) is 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is CC1(C)CCc2nn(-c3ccccn3)c(N)c21.
What is the InChIKey of 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The InChIKey is MNKBZDAVDRGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-13(2)7-6-9-11(13)12(14)17(16-9)10-5-3-4-8-15-10/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-pyridin-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 79865312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).