1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C19H31N5O — CID 139451364

IUPAC1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCCC(=O)N1CC=C(c2c(CN(C)CCNC)nn3c2CCC3)CC1
InChIInChI=1S/C19H31N5O/c1-4-18(25)23-11-7-15(8-12-23)19-16(14-22(3)13-9-20-2)21-24-10-5-6-17(19)24/h7,20H,4-6,8-14H2,1-3H3
InChIKeyTXGBFQFEMJLWAA-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.51
Rot. Bonds7

About 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 139451364) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID139451364
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESCCC(=O)N1CC=C(c2c(CN(C)CCNC)nn3c2CCC3)CC1
InChIInChI=1S/C19H31N5O/c1-4-18(25)23-11-7-15(8-12-23)19-16(14-22(3)13-9-20-2)21-24-10-5-6-17(19)24/h7,20H,4-6,8-14H2,1-3H3
InChIKeyTXGBFQFEMJLWAA-UHFFFAOYSA-N
XLogP1.51
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one 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

N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136370
US11028083, Example 55
CID 139451453
US11028083, Example 52
CID 139451499
US11028083, Example 54
CID 139451558
US11028083, Example 15
CID 139456555
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 24247479
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(2-phenylethyl)propanamide
CID 72140144
N-{1-Benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-YL}-2-(3,5-dimethyl-1H-pyrazol-1-YL)acetamide
CID 91910930
N-{(3S,4R)-1-benzyl-4-[(dimethylamino)methyl]tetrahydro-1H-pyrrol-3-yl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 91910931
N-{1-Benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-YL}-3-(3,5-dimethyl-1H-pyrazol-1-YL)propanamide
CID 91922835
N-[2-[5-[(dimethylamino)methyl]-3-(2-fluorophenyl)pyrazol-1-yl]ethyl]butanamide
CID 92586764

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 139451364) is 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is CCC(=O)N1CC=C(c2c(CN(C)CCNC)nn3c2CCC3)CC1.
What is the InChIKey of 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is TXGBFQFEMJLWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-4-18(25)23-11-7-15(8-12-23)19-16(14-22(3)13-9-20-2)21-24-10-5-6-17(19)24/h7,20H,4-6,8-14H2,1-3H3.
What are the key properties of 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 139451364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).