4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine

C17H25N3 — CID 117431686

IUPAC4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESCC(C)(C)CC(C)(C)c1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C17H25N3/c1-16(2,3)11-17(4,5)13-8-6-12(7-9-13)14-10-19-20-15(14)18/h6-10H,11H2,1-5H3,(H3,18,19,20)
InChIKeyGKGGXYRMHPWDNB-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.37
Rot. Bonds3

About 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine

4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117431686) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID117431686
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine
SMILESCC(C)(C)CC(C)(C)c1ccc(-c2cn[nH]c2N)cc1
InChIInChI=1S/C17H25N3/c1-16(2,3)11-17(4,5)13-8-6-12(7-9-13)14-10-19-20-15(14)18/h6-10H,11H2,1-5H3,(H3,18,19,20)
InChIKeyGKGGXYRMHPWDNB-UHFFFAOYSA-N
XLogP4.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]aniline
CID 123485897
4-[4-[4-(2-fluoropropan-2-yl)phenyl]-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 163998023
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117433991
4-(4-tert-butylphenyl)-5-methyl-1H-pyrazole
CID 139474826
4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117432033
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117325187
4-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 28688793
4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
CID 22408196
4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
CID 117346326

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine (CID 117431686) is 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine is CC(C)(C)CC(C)(C)c1ccc(-c2cn[nH]c2N)cc1.
What is the InChIKey of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is GKGGXYRMHPWDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-16(2,3)11-17(4,5)13-8-6-12(7-9-13)14-10-19-20-15(14)18/h6-10H,11H2,1-5H3,(H3,18,19,20).
What are the key properties of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine?
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 271.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117431686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).