N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine

C11H19N3 — CID 130500093

IUPACN-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESC=CC(C)Nc1cn(C)nc1C(C)C
InChIInChI=1S/C11H19N3/c1-6-9(4)12-10-7-14(5)13-11(10)8(2)3/h6-9,12H,1H2,2-5H3
InChIKeyZYKNNRLHKGUKED-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.53
Rot. Bonds4

About N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine

N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 130500093) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID130500093
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESC=CC(C)Nc1cn(C)nc1C(C)C
InChIInChI=1S/C11H19N3/c1-6-9(4)12-10-7-14(5)13-11(10)8(2)3/h6-9,12H,1H2,2-5H3
InChIKeyZYKNNRLHKGUKED-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 130500093) is N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine is C=CC(C)Nc1cn(C)nc1C(C)C.
What is the InChIKey of N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is ZYKNNRLHKGUKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-6-9(4)12-10-7-14(5)13-11(10)8(2)3/h6-9,12H,1H2,2-5H3.
What are the key properties of N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine?
N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 130500093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).