N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine

C10H17N3 — CID 66750164

IUPACN-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine
SMILESC=CCc1cc(NC(C)(C)C)n[nH]1
InChIInChI=1S/C10H17N3/c1-5-6-8-7-9(13-12-8)11-10(2,3)4/h5,7H,1,6H2,2-4H3,(H2,11,12,13)
InChIKeyHGNIZJSMONKPTC-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.35
Rot. Bonds3

About N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine

N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine (PubChem CID 66750164) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine
PubChem CID66750164
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine
SMILESC=CCc1cc(NC(C)(C)C)n[nH]1
InChIInChI=1S/C10H17N3/c1-5-6-8-7-9(13-12-8)11-10(2,3)4/h5,7H,1,6H2,2-4H3,(H2,11,12,13)
InChIKeyHGNIZJSMONKPTC-UHFFFAOYSA-N
XLogP2.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine (CID 66750164) is N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine is C=CCc1cc(NC(C)(C)C)n[nH]1.
What is the InChIKey of N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine?
The InChIKey is HGNIZJSMONKPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-6-8-7-9(13-12-8)11-10(2,3)4/h5,7H,1,6H2,2-4H3,(H2,11,12,13).
What are the key properties of N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine?
N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-prop-2-enyl-1H-pyrazol-3-amine is sourced from PubChem (CID 66750164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).