5-tert-butyl-N-methyl-1H-pyrazol-3-amine

C8H15N3 — CID 13491754

IUPAC5-tert-butyl-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-7(9-4)11-10-6/h5H,1-4H3,(H2,9,10,11)
InChIKeyKMYRGANVYIGAOI-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.75
Rot. Bonds1

About 5-tert-butyl-N-methyl-1H-pyrazol-3-amine

5-tert-butyl-N-methyl-1H-pyrazol-3-amine (PubChem CID 13491754) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-1H-pyrazol-3-amine
PubChem CID13491754
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name5-tert-butyl-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C8H15N3/c1-8(2,3)6-5-7(9-4)11-10-6/h5H,1-4H3,(H2,9,10,11)
InChIKeyKMYRGANVYIGAOI-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 5-tert-butyl-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-N-methyl-1H-pyrazol-3-amine (CID 13491754) is 5-tert-butyl-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-methyl-1H-pyrazol-3-amine is CNc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-methyl-1H-pyrazol-3-amine?
The InChIKey is KMYRGANVYIGAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)6-5-7(9-4)11-10-6/h5H,1-4H3,(H2,9,10,11).
What are the key properties of 5-tert-butyl-N-methyl-1H-pyrazol-3-amine?
5-tert-butyl-N-methyl-1H-pyrazol-3-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 5-tert-butyl-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 13491754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).