1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine

C14H19N3 — CID 778073

IUPAC1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(C(C)(C)C)c(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3/c1-10-12(11-8-6-5-7-9-11)13(15)17(16-10)14(2,3)4/h5-9H,15H2,1-4H3
InChIKeyDOXLNMCPYVRQBU-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.20
Rot. Bonds1

About 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine

1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine (PubChem CID 778073) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine
PubChem CID778073
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine
SMILESCc1nn(C(C)(C)C)c(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3/c1-10-12(11-8-6-5-7-9-11)13(15)17(16-10)14(2,3)4/h5-9H,15H2,1-4H3
InChIKeyDOXLNMCPYVRQBU-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine (CID 778073) is 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine is Cc1nn(C(C)(C)C)c(N)c1-c1ccccc1.
What is the InChIKey of 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine?
The InChIKey is DOXLNMCPYVRQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-12(11-8-6-5-7-9-11)13(15)17(16-10)14(2,3)4/h5-9H,15H2,1-4H3.
What are the key properties of 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine?
1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine is sourced from PubChem (CID 778073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).