5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane

C10H19N3 — CID 161037890

IUPAC5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane
SMILESC.CC(C)(C)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H15N3.CH4/c1-9(2,3)12-5-7-4-10-11-8(7)6-12;/h4H,5-6H2,1-3H3,(H,10,11);1H4
InChIKeyUAMLTEYYNXYCHW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.16
Rot. Bonds

About 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane

5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane (PubChem CID 161037890) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane.

Molecular Properties

Compound Name5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane
PubChem CID161037890
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane
SMILESC.CC(C)(C)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H15N3.CH4/c1-9(2,3)12-5-7-4-10-11-8(7)6-12;/h4H,5-6H2,1-3H3,(H,10,11);1H4
InChIKeyUAMLTEYYNXYCHW-UHFFFAOYSA-N
XLogP2.16
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-6-tert-butyl-5-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 171582036
5-tert-butyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 164717001
6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59332229
5-(difluoromethylsulfonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 131173305
(1-tert-butyl-1,2,4-triazol-3-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 136543923
ethane;1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 144959270
cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 130872132
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
CID 130641997
1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine
CID 176737740
ethane;ethene;bis(6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine)
CID 162282838
N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 130690431
2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 142196715

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane?
The IUPAC name of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane (CID 161037890) is 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane.
What is the SMILES notation for 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane?
The canonical SMILES for 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane is C.CC(C)(C)N1Cc2cn[nH]c2C1.
What is the InChIKey of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane?
The InChIKey is UAMLTEYYNXYCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.CH4/c1-9(2,3)12-5-7-4-10-11-8(7)6-12;/h4H,5-6H2,1-3H3,(H,10,11);1H4.
What are the key properties of 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane?
5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane has a molecular weight of 181.28 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole;methane is sourced from PubChem (CID 161037890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).