N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide

C21H37N5O — CID 139451453

About N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide

N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 139451453) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide
• PubChem CID: 139451453
• Molecular Formula: C21H37N5O
• Molecular Weight: 375.56 g/mol
• Exact Mass: 375.30
• IUPAC Name: N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide
• SMILES: CCNC(=O)C1(C)CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1
• InChI: InChI=1S/C21H37N5O/c1-5-23-20(27)21(2)10-8-16(9-11-21)19-17(15-25(4)14-12-22-3)24-26-13-6-7-18(19)26/h16,22H,5-15H2,1-4H3,(H,23,27)
• InChIKey: HAWZCZUKYPUYRB-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 62.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.56
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide?

The IUPAC name of N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide (CID 139451453) is N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide?

The canonical SMILES for N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide is CCNC(=O)C1(C)CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1.

What is the InChIKey of N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide?

The InChIKey is HAWZCZUKYPUYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-5-23-20(27)21(2)10-8-16(9-11-21)19-17(15-25(4)14-12-22-3)24-26-13-6-7-18(19)26/h16,22H,5-15H2,1-4H3,(H,23,27).

What are the key properties of N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide?

N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-methyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 139451453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).