3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine

C20H25N3 — CID 67456834

IUPAC3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C34CC5CC(CC(C5)C3)C4)cc2N)cc1
InChIInChI=1S/C20H25N3/c1-13-2-4-17(5-3-13)23-19(21)9-18(22-23)20-10-14-6-15(11-20)8-16(7-14)12-20/h2-5,9,14-16H,6-8,10-12,21H2,1H3
InChIKeyWSFYMARXEGULBG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.23
Rot. Bonds2

About 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine

3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine (PubChem CID 67456834) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine
PubChem CID67456834
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-n2nc(C34CC5CC(CC(C5)C3)C4)cc2N)cc1
InChIInChI=1S/C20H25N3/c1-13-2-4-17(5-3-13)23-19(21)9-18(22-23)20-10-14-6-15(11-20)8-16(7-14)12-20/h2-5,9,14-16H,6-8,10-12,21H2,1H3
InChIKeyWSFYMARXEGULBG-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine (CID 67456834) is 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-n2nc(C34CC5CC(CC(C5)C3)C4)cc2N)cc1.
What is the InChIKey of 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is WSFYMARXEGULBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-13-2-4-17(5-3-13)23-19(21)9-18(22-23)20-10-14-6-15(11-20)8-16(7-14)12-20/h2-5,9,14-16H,6-8,10-12,21H2,1H3.
What are the key properties of 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine?
3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 307.44 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 67456834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).