4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine

C15H19BrN6 — CID 163793487

IUPAC4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine
SMILESBrc1cn[nH]c1.CC(C)(C)n1cc(-c2ccnc(N)c2)cn1
InChIInChI=1S/C12H16N4.C3H3BrN2/c1-12(2,3)16-8-10(7-15-16)9-4-5-14-11(13)6-9;4-3-1-5-6-2-3/h4-8H,1-3H3,(H2,13,14);1-2H,(H,5,6)
InChIKeyMYVBJEXCOJPONE-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.45
Rot. Bonds1

About 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine

4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine (PubChem CID 163793487) has the molecular formula C15H19BrN6 and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine
PubChem CID163793487
Molecular FormulaC15H19BrN6
Molecular Weight363.26 g/mol
Exact Mass362.09
IUPAC Name4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine
SMILESBrc1cn[nH]c1.CC(C)(C)n1cc(-c2ccnc(N)c2)cn1
InChIInChI=1S/C12H16N4.C3H3BrN2/c1-12(2,3)16-8-10(7-15-16)9-4-5-14-11(13)6-9;4-3-1-5-6-2-3/h4-8H,1-3H3,(H2,13,14);1-2H,(H,5,6)
InChIKeyMYVBJEXCOJPONE-UHFFFAOYSA-N
XLogP3.45
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine (CID 163793487) is 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine is Brc1cn[nH]c1.CC(C)(C)n1cc(-c2ccnc(N)c2)cn1.
What is the InChIKey of 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is MYVBJEXCOJPONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.C3H3BrN2/c1-12(2,3)16-8-10(7-15-16)9-4-5-14-11(13)6-9;4-3-1-5-6-2-3/h4-8H,1-3H3,(H2,13,14);1-2H,(H,5,6).
What are the key properties of 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine?
4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 363.26 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazole;4-(1-tert-butylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 163793487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).