2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C12H19N3 — CID 82396168

IUPAC2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC1NCc2nn(C3CCCCC3)cc21
InChIInChI=1S/C12H19N3/c1-9-11-8-15(14-12(11)7-13-9)10-5-3-2-4-6-10/h8-10,13H,2-7H2,1H3
InChIKeyNKDKVZFTDNUNNP-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.55
Rot. Bonds1

About 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 82396168) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID82396168
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC1NCc2nn(C3CCCCC3)cc21
InChIInChI=1S/C12H19N3/c1-9-11-8-15(14-12(11)7-13-9)10-5-3-2-4-6-10/h8-10,13H,2-7H2,1H3
InChIKeyNKDKVZFTDNUNNP-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 82396168) is 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is CC1NCc2nn(C3CCCCC3)cc21.
What is the InChIKey of 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is NKDKVZFTDNUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-9-11-8-15(14-12(11)7-13-9)10-5-3-2-4-6-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 205.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 82396168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).