N-tert-butyl-3-(1H-pyrazol-5-yl)aniline

C13H17N3 — CID 58709859

IUPACN-tert-butyl-3-(1H-pyrazol-5-yl)aniline
SMILESCC(C)(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3/c1-13(2,3)15-11-6-4-5-10(9-11)12-7-8-14-16-12/h4-9,15H,1-3H3,(H,14,16)
InChIKeyFJMDCLALEUALOF-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.29
Rot. Bonds2

About N-tert-butyl-3-(1H-pyrazol-5-yl)aniline

N-tert-butyl-3-(1H-pyrazol-5-yl)aniline (PubChem CID 58709859) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-tert-butyl-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-tert-butyl-3-(1H-pyrazol-5-yl)aniline
PubChem CID58709859
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-tert-butyl-3-(1H-pyrazol-5-yl)aniline
SMILESCC(C)(C)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H17N3/c1-13(2,3)15-11-6-4-5-10(9-11)12-7-8-14-16-12/h4-9,15H,1-3H3,(H,14,16)
InChIKeyFJMDCLALEUALOF-UHFFFAOYSA-N
XLogP3.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-N-[3-(1H-pyrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107445250
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
CID 55231822
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745402

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-tert-butyl-3-(1H-pyrazol-5-yl)aniline (CID 58709859) is N-tert-butyl-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-tert-butyl-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-tert-butyl-3-(1H-pyrazol-5-yl)aniline is CC(C)(C)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-tert-butyl-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is FJMDCLALEUALOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,3)15-11-6-4-5-10(9-11)12-7-8-14-16-12/h4-9,15H,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-3-(1H-pyrazol-5-yl)aniline?
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 215.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 58709859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).