N-propan-2-yloxy-1H-pyrazol-4-amine

C6H11N3O — CID 130205502

IUPACN-propan-2-yloxy-1H-pyrazol-4-amine
SMILESCC(C)ONc1cn[nH]c1
InChIInChI=1S/C6H11N3O/c1-5(2)10-9-6-3-7-8-4-6/h3-5,9H,1-2H3,(H,7,8)
InChIKeyQNECKBQGKDLLQP-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.16
Rot. Bonds3

About N-propan-2-yloxy-1H-pyrazol-4-amine

N-propan-2-yloxy-1H-pyrazol-4-amine (PubChem CID 130205502) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-propan-2-yloxy-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-propan-2-yloxy-1H-pyrazol-4-amine
PubChem CID130205502
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-propan-2-yloxy-1H-pyrazol-4-amine
SMILESCC(C)ONc1cn[nH]c1
InChIInChI=1S/C6H11N3O/c1-5(2)10-9-6-3-7-8-4-6/h3-5,9H,1-2H3,(H,7,8)
InChIKeyQNECKBQGKDLLQP-UHFFFAOYSA-N
XLogP1.16
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxy-1H-pyrazol-4-amine?
The IUPAC name of N-propan-2-yloxy-1H-pyrazol-4-amine (CID 130205502) is N-propan-2-yloxy-1H-pyrazol-4-amine.
What is the SMILES notation for N-propan-2-yloxy-1H-pyrazol-4-amine?
The canonical SMILES for N-propan-2-yloxy-1H-pyrazol-4-amine is CC(C)ONc1cn[nH]c1.
What is the InChIKey of N-propan-2-yloxy-1H-pyrazol-4-amine?
The InChIKey is QNECKBQGKDLLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(2)10-9-6-3-7-8-4-6/h3-5,9H,1-2H3,(H,7,8).
What are the key properties of N-propan-2-yloxy-1H-pyrazol-4-amine?
N-propan-2-yloxy-1H-pyrazol-4-amine has a molecular weight of 141.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-1H-pyrazol-4-amine is sourced from PubChem (CID 130205502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).