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

C19H33N5O — CID 139451558

IUPACN-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(c2c(CN(C)CCNC)nn3c2CCC3)C1
InChIInChI=1S/C19H33N5O/c1-4-18(25)21-15-8-7-14(12-15)19-16(13-23(3)11-9-20-2)22-24-10-5-6-17(19)24/h14-15,20H,4-13H2,1-3H3,(H,21,25)
InChIKeyPJFZAWXZHPBCIV-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.64
Rot. Bonds8

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

N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide (PubChem CID 139451558) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide
PubChem CID139451558
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(c2c(CN(C)CCNC)nn3c2CCC3)C1
InChIInChI=1S/C19H33N5O/c1-4-18(25)21-15-8-7-14(12-15)19-16(13-23(3)11-9-20-2)22-24-10-5-6-17(19)24/h14-15,20H,4-13H2,1-3H3,(H,21,25)
InChIKeyPJFZAWXZHPBCIV-UHFFFAOYSA-N
XLogP1.64
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide with MolForge

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Related Compounds

US11028083, Example 14
CID 139451364
US11028083, Example 37
CID 139451411
US11028083, Example 40
CID 139451412
US11028083, Example 48
CID 139451428
US11028083, Example 39
CID 139451439
US11028083, Example 26
CID 139451445
US11028083, Example 30
CID 139451447
US11028083, Example 55
CID 139451453
US11028083, Example 68a
CID 139451479
US11028083, Example 25
CID 139451480
US11028083, Example 52
CID 139451499
US11028083, Example 53
CID 139451517

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide?
The IUPAC name of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide (CID 139451558) is N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide.
What is the SMILES notation for N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide?
The canonical SMILES for N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide is CCC(=O)NC1CCC(c2c(CN(C)CCNC)nn3c2CCC3)C1.
What is the InChIKey of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide?
The InChIKey is PJFZAWXZHPBCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-18(25)21-15-8-7-14(12-15)19-16(13-23(3)11-9-20-2)22-24-10-5-6-17(19)24/h14-15,20H,4-13H2,1-3H3,(H,21,25).
What are the key properties of N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide?
N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide has a molecular weight of 347.51 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclopentyl]propanamide is sourced from PubChem (CID 139451558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).