N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

C20H23FN4 — CID 120912828

IUPACN'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4/c21-19-6-8-20(9-7-19)25-16-18(14-23-25)15-24(13-11-22)12-10-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15,22H2
InChIKeyBIDSXUCJSOTMGF-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.01
Rot. Bonds8

About N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine

N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120912828) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120912828
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC NameN'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4/c21-19-6-8-20(9-7-19)25-16-18(14-23-25)15-24(13-11-22)12-10-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15,22H2
InChIKeyBIDSXUCJSOTMGF-UHFFFAOYSA-N
XLogP3.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871998
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 171667182
N'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912549
N'-benzyl-N'-[(1-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104869964
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120912828) is N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is BIDSXUCJSOTMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c21-19-6-8-20(9-7-19)25-16-18(14-23-25)15-24(13-11-22)12-10-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15,22H2.
What are the key properties of N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 338.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120912828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).