N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C19H29N5 — CID 74415646

IUPACN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)CC1CNNC1c1ccc(C)c(C)c1
InChIInChI=1S/C19H29N5/c1-5-24(12-16-9-21-23(4)11-16)13-18-10-20-22-19(18)17-7-6-14(2)15(3)8-17/h6-9,11,18-20,22H,5,10,12-13H2,1-4H3
InChIKeyHEPYXHHYQFTURR-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.32
Rot. Bonds6

About N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 74415646) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID74415646
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)CC1CNNC1c1ccc(C)c(C)c1
InChIInChI=1S/C19H29N5/c1-5-24(12-16-9-21-23(4)11-16)13-18-10-20-22-19(18)17-7-6-14(2)15(3)8-17/h6-9,11,18-20,22H,5,10,12-13H2,1-4H3
InChIKeyHEPYXHHYQFTURR-UHFFFAOYSA-N
XLogP2.32
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134037133
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
ethane;4-ethyl-1-methylpyrazole
CID 143829284
N',N'-diethyl-N-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 28600418
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine
CID 77084279
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
CID 74809884
2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
3-[1-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 75552423
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 74415646) is N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CCN(Cc1cnn(C)c1)CC1CNNC1c1ccc(C)c(C)c1.
What is the InChIKey of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HEPYXHHYQFTURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-5-24(12-16-9-21-23(4)11-16)13-18-10-20-22-19(18)17-7-6-14(2)15(3)8-17/h6-9,11,18-20,22H,5,10,12-13H2,1-4H3.
What are the key properties of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 327.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 74415646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).