N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine

C11H15N3 — CID 130695754

IUPACN-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine
SMILESC#CCCNc1cnn(C)c1C1CC1
InChIInChI=1S/C11H15N3/c1-3-4-7-12-10-8-13-14(2)11(10)9-5-6-9/h1,8-9,12H,4-7H2,2H3
InChIKeyWQPRLIUTOQJZCK-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.73
Rot. Bonds4

About N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine

N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine (PubChem CID 130695754) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine
PubChem CID130695754
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine
SMILESC#CCCNc1cnn(C)c1C1CC1
InChIInChI=1S/C11H15N3/c1-3-4-7-12-10-8-13-14(2)11(10)9-5-6-9/h1,8-9,12H,4-7H2,2H3
InChIKeyWQPRLIUTOQJZCK-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine?
The IUPAC name of N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine (CID 130695754) is N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine is C#CCCNc1cnn(C)c1C1CC1.
What is the InChIKey of N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine?
The InChIKey is WQPRLIUTOQJZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-4-7-12-10-8-13-14(2)11(10)9-5-6-9/h1,8-9,12H,4-7H2,2H3.
What are the key properties of N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine?
N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine has a molecular weight of 189.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-5-cyclopropyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 130695754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).