N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine

C22H31N5 — CID 74809884

IUPACN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
SMILESCc1ccc(C2NNCC2CNCC2CC(c3ccccc3)NN2)cc1C
InChIInChI=1S/C22H31N5/c1-15-8-9-18(10-16(15)2)22-19(13-24-27-22)12-23-14-20-11-21(26-25-20)17-6-4-3-5-7-17/h3-10,19-27H,11-14H2,1-2H3
InChIKeyQRCLNNZDBQJPOP-UHFFFAOYSA-N
MW365.53 g/mol
LogP2.27
Rot. Bonds6

About N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine

N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine (PubChem CID 74809884) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
PubChem CID74809884
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC NameN-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine
SMILESCc1ccc(C2NNCC2CNCC2CC(c3ccccc3)NN2)cc1C
InChIInChI=1S/C22H31N5/c1-15-8-9-18(10-16(15)2)22-19(13-24-27-22)12-23-14-20-11-21(26-25-20)17-6-4-3-5-7-17/h3-10,19-27H,11-14H2,1-2H3
InChIKeyQRCLNNZDBQJPOP-UHFFFAOYSA-N
XLogP2.27
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
CID 75266458
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-N-ethylethanamine
CID 78336604
3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873711
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
CID 52986589
2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
CID 78339992
3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873394
N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 74414644
1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
CID 74810972
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134079824
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 52991221
5-(3,4-dimethylphenyl)pyrazolidin-3-amine
CID 53406909

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine?
The IUPAC name of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine (CID 74809884) is N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine.
What is the SMILES notation for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine?
The canonical SMILES for N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine is Cc1ccc(C2NNCC2CNCC2CC(c3ccccc3)NN2)cc1C.
What is the InChIKey of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine?
The InChIKey is QRCLNNZDBQJPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-15-8-9-18(10-16(15)2)22-19(13-24-27-22)12-23-14-20-11-21(26-25-20)17-6-4-3-5-7-17/h3-10,19-27H,11-14H2,1-2H3.
What are the key properties of N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine?
N-[[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]methyl]-1-(5-phenylpyrazolidin-3-yl)methanamine has a molecular weight of 365.53 g/mol, XLogP of 2.27, 6 rotatable bonds, 5 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]-1-(5-phenylpyrazolidin-3-yl)methanamine is sourced from PubChem (CID 74809884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).