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

C21H37N5O — CID 139456542

IUPACN,N,1-trimethyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCNCCN(C)Cc1nn2c(c1C1CCC(C)(C(=O)N(C)C)CC1)CCC2
InChIInChI=1S/C21H37N5O/c1-21(20(27)24(3)4)10-8-16(9-11-21)19-17(15-25(5)14-12-22-2)23-26-13-6-7-18(19)26/h16,22H,6-15H2,1-5H3
InChIKeyVYLYLWBIWAQNLH-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.23
Rot. Bonds7

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

N,N,1-trimethyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 139456542) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is N,N,1-trimethyl-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 NameN,N,1-trimethyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide
PubChem CID139456542
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC NameN,N,1-trimethyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCNCCN(C)Cc1nn2c(c1C1CCC(C)(C(=O)N(C)C)CC1)CCC2
InChIInChI=1S/C21H37N5O/c1-21(20(27)24(3)4)10-8-16(9-11-21)19-17(15-25(5)14-12-22-2)23-26-13-6-7-18(19)26/h16,22H,6-15H2,1-5H3
InChIKeyVYLYLWBIWAQNLH-UHFFFAOYSA-N
XLogP2.23
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-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,N,1-trimethyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide (CID 139456542) is N,N,1-trimethyl-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,N,1-trimethyl-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,N,1-trimethyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide is CNCCN(C)Cc1nn2c(c1C1CCC(C)(C(=O)N(C)C)CC1)CCC2.
What is the InChIKey of N,N,1-trimethyl-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 VYLYLWBIWAQNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-21(20(27)24(3)4)10-8-16(9-11-21)19-17(15-25(5)14-12-22-2)23-26-13-6-7-18(19)26/h16,22H,6-15H2,1-5H3.
What are the key properties of N,N,1-trimethyl-4-[2-[[methyl-[2-(methylamino)ethyl]amino]methyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexane-1-carboxamide?
N,N,1-trimethyl-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 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-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 139456542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).