3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine

C20H36N4O — CID 139451424

IUPAC3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCCOCC1CCC(c2c(CC(CNC)NC)nn3c2CCC3)CC1
InChIInChI=1S/C20H36N4O/c1-4-25-14-15-7-9-16(10-8-15)20-18(12-17(22-3)13-21-2)23-24-11-5-6-19(20)24/h15-17,21-22H,4-14H2,1-3H3
InChIKeyNTMVEOMITXLXCF-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.49
Rot. Bonds9

About 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine

3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 139451424) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID139451424
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCCOCC1CCC(c2c(CC(CNC)NC)nn3c2CCC3)CC1
InChIInChI=1S/C20H36N4O/c1-4-25-14-15-7-9-16(10-8-15)20-18(12-17(22-3)13-21-2)23-24-11-5-6-19(20)24/h15-17,21-22H,4-14H2,1-3H3
InChIKeyNTMVEOMITXLXCF-UHFFFAOYSA-N
XLogP2.49
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine 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

US11028083, Example 5a
CID 139451418
US11028083, Example 92
CID 139451436
US11028083, Example 103a
CID 139451512
US11028083, Example 83a
CID 139451534
US11028083, Example 102
CID 139456543
US11028083, Example 101a
CID 139456545
US11028083, Example 78a
CID 139456547
US11028083, Example 79a
CID 139456622
US11028083, Example 4
CID 139456625
US11028083, Example 91
CID 139456645
US11028083, Example 89a
CID 139456722
US11028083, Example 90
CID 139456723

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine (CID 139451424) is 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine is CCOCC1CCC(c2c(CC(CNC)NC)nn3c2CCC3)CC1.
What is the InChIKey of 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is NTMVEOMITXLXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O/c1-4-25-14-15-7-9-16(10-8-15)20-18(12-17(22-3)13-21-2)23-24-11-5-6-19(20)24/h15-17,21-22H,4-14H2,1-3H3.
What are the key properties of 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine?
3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 348.54 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(ethoxymethyl)cyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 139451424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).