N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine

C14H19N3 — CID 91071518

IUPACN-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(C(C)(C)C)cc1Nc1ccn[nH]1
InChIInChI=1S/C14H19N3/c1-10-5-6-11(14(2,3)4)9-12(10)16-13-7-8-15-17-13/h5-9H,1-4H3,(H2,15,16,17)
InChIKeyYASBLAMTHVJFOF-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.76
Rot. Bonds2

About N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine

N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 91071518) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine
PubChem CID91071518
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(C(C)(C)C)cc1Nc1ccn[nH]1
InChIInChI=1S/C14H19N3/c1-10-5-6-11(14(2,3)4)9-12(10)16-13-7-8-15-17-13/h5-9H,1-4H3,(H2,15,16,17)
InChIKeyYASBLAMTHVJFOF-UHFFFAOYSA-N
XLogP3.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 126752492
N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine
CID 91510406
N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
CID 90804620
N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 91567032
N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 90934469
5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine
CID 115146961
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 90754522
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
N-(5-tert-butyl-2-methylphenyl)prop-2-enamide
CID 139406926
N-(4,4-dimethylpentyl)-1H-pyrazol-5-amine
CID 20774380
4-(5-tert-butyl-2-methylanilino)butan-1-ol
CID 115217347

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine (CID 91071518) is N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine is Cc1ccc(C(C)(C)C)cc1Nc1ccn[nH]1.
What is the InChIKey of N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is YASBLAMTHVJFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-6-11(14(2,3)4)9-12(10)16-13-7-8-15-17-13/h5-9H,1-4H3,(H2,15,16,17).
What are the key properties of N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine?
N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 91071518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).