N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine

C15H22N4 — CID 107445250

IUPACN'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H22N4/c1-15(2,3)17-10-9-16-13-6-4-5-12(11-13)14-7-8-18-19-14/h4-8,11,16-17H,9-10H2,1-3H3,(H,18,19)
InChIKeyFZZNECRKLHMWTD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.88
Rot. Bonds5

About N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine

N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine (PubChem CID 107445250) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
PubChem CID107445250
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C15H22N4/c1-15(2,3)17-10-9-16-13-6-4-5-12(11-13)14-7-8-18-19-14/h4-8,11,16-17H,9-10H2,1-3H3,(H,18,19)
InChIKeyFZZNECRKLHMWTD-UHFFFAOYSA-N
XLogP2.88
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
CID 55231822
N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62121809
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N'-tert-butyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]ethane-1,2-diamine
CID 107444720
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine (CID 107445250) is N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine is CC(C)(C)NCCNc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine?
The InChIKey is FZZNECRKLHMWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2,3)17-10-9-16-13-6-4-5-12(11-13)14-7-8-18-19-14/h4-8,11,16-17H,9-10H2,1-3H3,(H,18,19).
What are the key properties of N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine?
N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107445250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).