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

C11H15N3 — CID 106937339

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESC=Cn1cc(CNC2CC=CC2)cn1
InChIInChI=1S/C11H15N3/c1-2-14-9-10(8-13-14)7-12-11-5-3-4-6-11/h2-4,8-9,11-12H,1,5-7H2
InChIKeyBPTHPBIVAOORJZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.79
Rot. Bonds4

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

N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 106937339) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
PubChem CID106937339
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
SMILESC=Cn1cc(CNC2CC=CC2)cn1
InChIInChI=1S/C11H15N3/c1-2-14-9-10(8-13-14)7-12-11-5-3-4-6-11/h2-4,8-9,11-12H,1,5-7H2
InChIKeyBPTHPBIVAOORJZ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-ethenylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106936939
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
1-tert-butyl-N-[(1-ethenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 106936555
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
CID 106936940
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696513
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696399
N-[(1-ethenylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106935342
N-[(1-ethenylpyrazol-4-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 106937158
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041579
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine (CID 106937339) is N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is C=Cn1cc(CNC2CC=CC2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is BPTHPBIVAOORJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-14-9-10(8-13-14)7-12-11-5-3-4-6-11/h2-4,8-9,11-12H,1,5-7H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 106937339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).