N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine

C11H19N3 — CID 115691236

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1cnn(C(C)C)c1
InChIInChI=1S/C11H19N3/c1-5-10(4)12-6-11-7-13-14(8-11)9(2)3/h5,7-10,12H,1,6H2,2-4H3
InChIKeyBZFURZZLMBLVOJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.13
Rot. Bonds5

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine

N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine (PubChem CID 115691236) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine
PubChem CID115691236
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine
SMILESC=CC(C)NCc1cnn(C(C)C)c1
InChIInChI=1S/C11H19N3/c1-5-10(4)12-6-11-7-13-14(8-11)9(2)3/h5,7-10,12H,1,6H2,2-4H3
InChIKeyBZFURZZLMBLVOJ-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
1-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115622994
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 114075416
4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 103700974
N-[(1-propan-2-ylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 103707752
4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
CID 113243466
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
(2R)-3-phenyl-2-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-1-ol
CID 104922922

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine (CID 115691236) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine is C=CC(C)NCc1cnn(C(C)C)c1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine?
The InChIKey is BZFURZZLMBLVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-10(4)12-6-11-7-13-14(8-11)9(2)3/h5,7-10,12H,1,6H2,2-4H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine is sourced from PubChem (CID 115691236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).