1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C12H22N4O — CID 61439616

IUPAC1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCOC1CNC(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C12H22N4O/c1-15(7-10-5-14-16(2)8-10)9-11-4-12(17-3)6-13-11/h5,8,11-13H,4,6-7,9H2,1-3H3
InChIKeyOJTIWVYHLDSEJX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.23
Rot. Bonds5

About 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 61439616) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID61439616
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCOC1CNC(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C12H22N4O/c1-15(7-10-5-14-16(2)8-10)9-11-4-12(17-3)6-13-11/h5,8,11-13H,4,6-7,9H2,1-3H3
InChIKeyOJTIWVYHLDSEJX-UHFFFAOYSA-N
XLogP0.23
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine 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-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-methylmethanamine
CID 128981481
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62703993
N-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cycloheptan-1-amine
CID 62610534
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
4-methoxy-1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439869
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80522098

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 61439616) is 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is COC1CNC(CN(C)Cc2cnn(C)c2)C1.
What is the InChIKey of 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is OJTIWVYHLDSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15(7-10-5-14-16(2)8-10)9-11-4-12(17-3)6-13-11/h5,8,11-13H,4,6-7,9H2,1-3H3.
What are the key properties of 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61439616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).