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

C12H16N4 — CID 43381330

IUPAC3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccccn2)n1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-8-10(13)16(15-9)11-6-4-5-7-14-11/h4-8H,13H2,1-3H3
InChIKeyGUULKYKPJKFSFK-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.15
Rot. Bonds1

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

3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine (PubChem CID 43381330) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
PubChem CID43381330
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ccccn2)n1
InChIInChI=1S/C12H16N4/c1-12(2,3)9-8-10(13)16(15-9)11-6-4-5-7-14-11/h4-8H,13H2,1-3H3
InChIKeyGUULKYKPJKFSFK-UHFFFAOYSA-N
XLogP2.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.15
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-ylpyrazole-5-carbonitrile
CID 58093568
3-tert-butyl-N-phenyl-1-pyridin-2-ylpyrazol-5-amine
CID 102581187
3-tert-butyl-1-pyridin-2-ylpyrazole-5-sulfonyl chloride
CID 55071052
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381325
2-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)sulfanylacetic acid
CID 62409897
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
CID 141134718
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 56531341

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine (CID 43381330) is 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ccccn2)n1.
What is the InChIKey of 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine?
The InChIKey is GUULKYKPJKFSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(2,3)9-8-10(13)16(15-9)11-6-4-5-7-14-11/h4-8H,13H2,1-3H3.
What are the key properties of 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine?
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine has a molecular weight of 216.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 43381330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).