3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine

C18H20N4 — CID 102581187

IUPAC3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
SMILESCC(C)(C)c1cc(Nc2ccccc2)n(-c2ccccn2)n1
InChIInChI=1S/C18H20N4/c1-18(2,3)15-13-17(20-14-9-5-4-6-10-14)22(21-15)16-11-7-8-12-19-16/h4-13,20H,1-3H3
InChIKeyFZTIAHZQXDWVQY-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.31
Rot. Bonds3

About 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine

3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine (PubChem CID 102581187) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
PubChem CID102581187
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
SMILESCC(C)(C)c1cc(Nc2ccccc2)n(-c2ccccn2)n1
InChIInChI=1S/C18H20N4/c1-18(2,3)15-13-17(20-14-9-5-4-6-10-14)22(21-15)16-11-7-8-12-19-16/h4-13,20H,1-3H3
InChIKeyFZTIAHZQXDWVQY-UHFFFAOYSA-N
XLogP4.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
CID 123989835
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
3-tert-butyl-1-pyridin-2-ylpyrazole-5-sulfonyl chloride
CID 55071052
3-tert-butyl-1-pyridin-2-ylpyrazole-5-carbonitrile
CID 58093568
4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoylamino]butanoic acid
CID 122089728
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)hexa-2,4-dienamide
CID 72687232
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 56551244
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
(2S)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxypropanamide
CID 52910343
N-[4-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-4-oxobutyl]benzamide
CID 56531701

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine (CID 102581187) is 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine is CC(C)(C)c1cc(Nc2ccccc2)n(-c2ccccn2)n1.
What is the InChIKey of 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine?
The InChIKey is FZTIAHZQXDWVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-18(2,3)15-13-17(20-14-9-5-4-6-10-14)22(21-15)16-11-7-8-12-19-16/h4-13,20H,1-3H3.
What are the key properties of 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine?
3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine has a molecular weight of 292.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 102581187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).