N,5-ditert-butyl-1H-pyrazol-3-amine

C11H21N3 — CID 63049017

IUPACN,5-ditert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H21N3/c1-10(2,3)8-7-9(14-13-8)12-11(4,5)6/h7H,1-6H3,(H2,12,13,14)
InChIKeyUUEMFYGQHGSXMH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.92
Rot. Bonds1

About N,5-ditert-butyl-1H-pyrazol-3-amine

N,5-ditert-butyl-1H-pyrazol-3-amine (PubChem CID 63049017) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,5-ditert-butyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,5-ditert-butyl-1H-pyrazol-3-amine
PubChem CID63049017
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,5-ditert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H21N3/c1-10(2,3)8-7-9(14-13-8)12-11(4,5)6/h7H,1-6H3,(H2,12,13,14)
InChIKeyUUEMFYGQHGSXMH-UHFFFAOYSA-N
XLogP2.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-ditert-butyl-1H-pyrazol-3-amine?
The IUPAC name of N,5-ditert-butyl-1H-pyrazol-3-amine (CID 63049017) is N,5-ditert-butyl-1H-pyrazol-3-amine.
What is the SMILES notation for N,5-ditert-butyl-1H-pyrazol-3-amine?
The canonical SMILES for N,5-ditert-butyl-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N,5-ditert-butyl-1H-pyrazol-3-amine?
The InChIKey is UUEMFYGQHGSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2,3)8-7-9(14-13-8)12-11(4,5)6/h7H,1-6H3,(H2,12,13,14).
What are the key properties of N,5-ditert-butyl-1H-pyrazol-3-amine?
N,5-ditert-butyl-1H-pyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-ditert-butyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63049017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).