1-tert-butyl-5-methylpyrazol-4-amine

C8H15N3 — CID 60867191

IUPAC1-tert-butyl-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C(C)(C)C
InChIInChI=1S/C8H15N3/c1-6-7(9)5-10-11(6)8(2,3)4/h5H,9H2,1-4H3
InChIKeyHXERSXNRVSDKIA-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.53
Rot. Bonds

About 1-tert-butyl-5-methylpyrazol-4-amine

1-tert-butyl-5-methylpyrazol-4-amine (PubChem CID 60867191) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-tert-butyl-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-tert-butyl-5-methylpyrazol-4-amine
PubChem CID60867191
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-tert-butyl-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1C(C)(C)C
InChIInChI=1S/C8H15N3/c1-6-7(9)5-10-11(6)8(2,3)4/h5H,9H2,1-4H3
InChIKeyHXERSXNRVSDKIA-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.53
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-methylpyrazol-4-amine?
The IUPAC name of 1-tert-butyl-5-methylpyrazol-4-amine (CID 60867191) is 1-tert-butyl-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-tert-butyl-5-methylpyrazol-4-amine?
The canonical SMILES for 1-tert-butyl-5-methylpyrazol-4-amine is Cc1c(N)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methylpyrazol-4-amine?
The InChIKey is HXERSXNRVSDKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-7(9)5-10-11(6)8(2,3)4/h5H,9H2,1-4H3.
What are the key properties of 1-tert-butyl-5-methylpyrazol-4-amine?
1-tert-butyl-5-methylpyrazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methylpyrazol-4-amine is sourced from PubChem (CID 60867191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).