4-tert-butyl-N-methyl-1H-pyrazol-5-amine

C8H15N3 — CID 58477493

IUPAC4-tert-butyl-N-methyl-1H-pyrazol-5-amine
SMILESCNc1[nH]ncc1C(C)(C)C
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-10-11-7(6)9-4/h5H,1-4H3,(H2,9,10,11)
InChIKeyAXHQNLICSYUEBO-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.75
Rot. Bonds1

About 4-tert-butyl-N-methyl-1H-pyrazol-5-amine

4-tert-butyl-N-methyl-1H-pyrazol-5-amine (PubChem CID 58477493) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-1H-pyrazol-5-amine
PubChem CID58477493
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-tert-butyl-N-methyl-1H-pyrazol-5-amine
SMILESCNc1[nH]ncc1C(C)(C)C
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-10-11-7(6)9-4/h5H,1-4H3,(H2,9,10,11)
InChIKeyAXHQNLICSYUEBO-UHFFFAOYSA-N
XLogP1.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-1H-pyrazol-5-amine?
The IUPAC name of 4-tert-butyl-N-methyl-1H-pyrazol-5-amine (CID 58477493) is 4-tert-butyl-N-methyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-1H-pyrazol-5-amine is CNc1[nH]ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-methyl-1H-pyrazol-5-amine?
The InChIKey is AXHQNLICSYUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)6-5-10-11-7(6)9-4/h5H,1-4H3,(H2,9,10,11).
What are the key properties of 4-tert-butyl-N-methyl-1H-pyrazol-5-amine?
4-tert-butyl-N-methyl-1H-pyrazol-5-amine has a molecular weight of 153.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-1H-pyrazol-5-amine is sourced from PubChem (CID 58477493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).