(1-tert-butyl-5-phenylpyrazol-4-yl)methanamine

C14H19N3 — CID 61368911

IUPAC(1-tert-butyl-5-phenylpyrazol-4-yl)methanamine
SMILESCC(C)(C)n1ncc(CN)c1-c1ccccc1
InChIInChI=1S/C14H19N3/c1-14(2,3)17-13(12(9-15)10-16-17)11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3
InChIKeyPFQSVJGCFLHANX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.76
Rot. Bonds2

About (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine

(1-tert-butyl-5-phenylpyrazol-4-yl)methanamine (PubChem CID 61368911) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-5-phenylpyrazol-4-yl)methanamine
PubChem CID61368911
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1-tert-butyl-5-phenylpyrazol-4-yl)methanamine
SMILESCC(C)(C)n1ncc(CN)c1-c1ccccc1
InChIInChI=1S/C14H19N3/c1-14(2,3)17-13(12(9-15)10-16-17)11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3
InChIKeyPFQSVJGCFLHANX-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine?
The IUPAC name of (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine (CID 61368911) is (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine is CC(C)(C)n1ncc(CN)c1-c1ccccc1.
What is the InChIKey of (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine?
The InChIKey is PFQSVJGCFLHANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)17-13(12(9-15)10-16-17)11-7-5-4-6-8-11/h4-8,10H,9,15H2,1-3H3.
What are the key properties of (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine?
(1-tert-butyl-5-phenylpyrazol-4-yl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 61368911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).