N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine

C13H21N3 — CID 115696513

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESCC(C)(C)n1cc(CNC2CC=CC2)cn1
InChIInChI=1S/C13H21N3/c1-13(2,3)16-10-11(9-15-16)8-14-12-6-4-5-7-12/h4-5,9-10,12,14H,6-8H2,1-3H3
InChIKeyXIQXSGDPDFRFKZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.45
Rot. Bonds3

About N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696513) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
PubChem CID115696513
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESCC(C)(C)n1cc(CNC2CC=CC2)cn1
InChIInChI=1S/C13H21N3/c1-13(2,3)16-10-11(9-15-16)8-14-12-6-4-5-7-12/h4-5,9-10,12,14H,6-8H2,1-3H3
InChIKeyXIQXSGDPDFRFKZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.45
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-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64722566
3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43792359
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 86808103
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977174
N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783460
N-[(1-tert-butylpyrazol-4-yl)methyl]pyrrol-1-amine
CID 79090306
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
(4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778646
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]-4-chloroaniline
CID 43762334

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (CID 115696513) is N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is CC(C)(C)n1cc(CNC2CC=CC2)cn1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is XIQXSGDPDFRFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2,3)16-10-11(9-15-16)8-14-12-6-4-5-7-12/h4-5,9-10,12,14H,6-8H2,1-3H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).