2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine

C9H14N4 — CID 105437712

IUPAC2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1C1CCC1)CNC2
InChIInChI=1S/C9H14N4/c10-9-7-4-11-5-8(7)12-13(9)6-2-1-3-6/h6,11H,1-5,10H2
InChIKeyPFYSQKCJQMOAKR-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.79
Rot. Bonds1

About 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine

2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine (PubChem CID 105437712) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
PubChem CID105437712
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1C1CCC1)CNC2
InChIInChI=1S/C9H14N4/c10-9-7-4-11-5-8(7)12-13(9)6-2-1-3-6/h6,11H,1-5,10H2
InChIKeyPFYSQKCJQMOAKR-UHFFFAOYSA-N
XLogP0.79
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-amine
CID 105495335
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105479436
2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 105477534
2-pyrrolidin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105460873
(2-cyclobutyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-3-yl)methanamine
CID 105459638
2-cyclohexyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105478038
1-cyclobutyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-3-amine
CID 105446509
2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105496410
1-cycloheptyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105495321
2-cyclopropyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105438148
2-cyclopentyl-6-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-amine
CID 105495296
2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
CID 105489962

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine (CID 105437712) is 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine is Nc1c2c(nn1C1CCC1)CNC2.
What is the InChIKey of 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
The InChIKey is PFYSQKCJQMOAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-9-7-4-11-5-8(7)12-13(9)6-2-1-3-6/h6,11H,1-5,10H2.
What are the key properties of 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 105437712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).