N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine

C18H20N4 — CID 117210689

IUPACN'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
SMILESCc1cccc(-n2ncc(NCCN)c2-c2ccccc2)c1
InChIInChI=1S/C18H20N4/c1-14-6-5-9-16(12-14)22-18(15-7-3-2-4-8-15)17(13-21-22)20-11-10-19/h2-9,12-13,20H,10-11,19H2,1H3
InChIKeyITYBFNHRTRHFOJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.22
Rot. Bonds5

About N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine

N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine (PubChem CID 117210689) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
PubChem CID117210689
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
SMILESCc1cccc(-n2ncc(NCCN)c2-c2ccccc2)c1
InChIInChI=1S/C18H20N4/c1-14-6-5-9-16(12-14)22-18(15-7-3-2-4-8-15)17(13-21-22)20-11-10-19/h2-9,12-13,20H,10-11,19H2,1H3
InChIKeyITYBFNHRTRHFOJ-UHFFFAOYSA-N
XLogP3.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(3-chlorophenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210691
N'-(1,5-diphenylpyrazol-4-yl)propane-1,3-diamine
CID 117210495
N'-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]propane-1,3-diamine
CID 117210731
N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210259
[4-(3-methylphenyl)-1-phenylpyrazol-5-yl]methanamine
CID 115049131
N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
CID 117210311
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
[1-(4-methylphenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61367384
3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
CID 115053250
1-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]ethanamine
CID 43209034
N'-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210831
N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210740

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine (CID 117210689) is N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine is Cc1cccc(-n2ncc(NCCN)c2-c2ccccc2)c1.
What is the InChIKey of N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
The InChIKey is ITYBFNHRTRHFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-6-5-9-16(12-14)22-18(15-7-3-2-4-8-15)17(13-21-22)20-11-10-19/h2-9,12-13,20H,10-11,19H2,1H3.
What are the key properties of N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine?
N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 117210689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).