1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine

C23H29N5 — CID 74810972

IUPAC1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
SMILESCc1ccc(C2NNCC2CN(C)Cc2ccc(-n3cccn3)cc2)cc1C
InChIInChI=1S/C23H29N5/c1-17-5-8-20(13-18(17)2)23-21(14-24-26-23)16-27(3)15-19-6-9-22(10-7-19)28-12-4-11-25-28/h4-13,21,23-24,26H,14-16H2,1-3H3
InChIKeyOVIBKVVTXQCGOK-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.39
Rot. Bonds6

About 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine

1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine (PubChem CID 74810972) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
PubChem CID74810972
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
SMILESCc1ccc(C2NNCC2CN(C)Cc2ccc(-n3cccn3)cc2)cc1C
InChIInChI=1S/C23H29N5/c1-17-5-8-20(13-18(17)2)23-21(14-24-26-23)16-27(3)15-19-6-9-22(10-7-19)28-12-4-11-25-28/h4-13,21,23-24,26H,14-16H2,1-3H3
InChIKeyOVIBKVVTXQCGOK-UHFFFAOYSA-N
XLogP3.39
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine with MolForge

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Related Compounds

N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 74415646
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine
CID 74416124
1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 138387699
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
CID 75258392
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazin-2-amine
CID 70756938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine (CID 74810972) is 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine is Cc1ccc(C2NNCC2CN(C)Cc2ccc(-n3cccn3)cc2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
The InChIKey is OVIBKVVTXQCGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-17-5-8-20(13-18(17)2)23-21(14-24-26-23)16-27(3)15-19-6-9-22(10-7-19)28-12-4-11-25-28/h4-13,21,23-24,26H,14-16H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine has a molecular weight of 375.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 74810972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).