N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine

C10H19N3 — CID 63048866

IUPACN-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1cc(NC(C)(C)C)n[nH]1
InChIInChI=1S/C10H19N3/c1-7(2)8-6-9(13-12-8)11-10(3,4)5/h6-7H,1-5H3,(H2,11,12,13)
InChIKeyFIIRWIXYJYYFQZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.74
Rot. Bonds2

About N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine

N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 63048866) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine
PubChem CID63048866
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1cc(NC(C)(C)C)n[nH]1
InChIInChI=1S/C10H19N3/c1-7(2)8-6-9(13-12-8)11-10(3,4)5/h6-7H,1-5H3,(H2,11,12,13)
InChIKeyFIIRWIXYJYYFQZ-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine (CID 63048866) is N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine is CC(C)c1cc(NC(C)(C)C)n[nH]1.
What is the InChIKey of N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is FIIRWIXYJYYFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)8-6-9(13-12-8)11-10(3,4)5/h6-7H,1-5H3,(H2,11,12,13).
What are the key properties of N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine?
N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 63048866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).