[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine

C13H18N4 — CID 175875458

IUPAC[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine
SMILESCC(C)(C)n1cc(-c2ncccc2CN)cn1
InChIInChI=1S/C13H18N4/c1-13(2,3)17-9-11(8-16-17)12-10(7-14)5-4-6-15-12/h4-6,8-9H,7,14H2,1-3H3
InChIKeyCPFHMUNEIGVCMH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.16
Rot. Bonds2

About [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine

[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine (PubChem CID 175875458) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine
PubChem CID175875458
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine
SMILESCC(C)(C)n1cc(-c2ncccc2CN)cn1
InChIInChI=1S/C13H18N4/c1-13(2,3)17-9-11(8-16-17)12-10(7-14)5-4-6-15-12/h4-6,8-9H,7,14H2,1-3H3
InChIKeyCPFHMUNEIGVCMH-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine (CID 175875458) is [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine is CC(C)(C)n1cc(-c2ncccc2CN)cn1.
What is the InChIKey of [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine?
The InChIKey is CPFHMUNEIGVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,3)17-9-11(8-16-17)12-10(7-14)5-4-6-15-12/h4-6,8-9H,7,14H2,1-3H3.
What are the key properties of [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine?
[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 175875458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).