1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol

C19H33N3O — CID 167933657

IUPAC1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
SMILESCC(C)C1CCC(C(C)(O)CNCc2cc3n(n2)CCC3)CC1
InChIInChI=1S/C19H33N3O/c1-14(2)15-6-8-16(9-7-15)19(3,23)13-20-12-17-11-18-5-4-10-22(18)21-17/h11,14-16,20,23H,4-10,12-13H2,1-3H3
InChIKeyPWDWPTCQLGESDA-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.13
Rot. Bonds6

About 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol

1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol (PubChem CID 167933657) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
PubChem CID167933657
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
SMILESCC(C)C1CCC(C(C)(O)CNCc2cc3n(n2)CCC3)CC1
InChIInChI=1S/C19H33N3O/c1-14(2)15-6-8-16(9-7-15)19(3,23)13-20-12-17-11-18-5-4-10-22(18)21-17/h11,14-16,20,23H,4-10,12-13H2,1-3H3
InChIKeyPWDWPTCQLGESDA-UHFFFAOYSA-N
XLogP3.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol (CID 167933657) is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol.
What is the SMILES notation for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The canonical SMILES for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol is CC(C)C1CCC(C(C)(O)CNCc2cc3n(n2)CCC3)CC1.
What is the InChIKey of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
The InChIKey is PWDWPTCQLGESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O/c1-14(2)15-6-8-16(9-7-15)19(3,23)13-20-12-17-11-18-5-4-10-22(18)21-17/h11,14-16,20,23H,4-10,12-13H2,1-3H3.
What are the key properties of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol?
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol has a molecular weight of 319.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol is sourced from PubChem (CID 167933657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).