3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine

C14H23N3 — CID 107094620

IUPAC3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
SMILESC=Cn1cc(CNCCCC2CCCC2)cn1
InChIInChI=1S/C14H23N3/c1-2-17-12-14(11-16-17)10-15-9-5-8-13-6-3-4-7-13/h2,11-13,15H,1,3-10H2
InChIKeyBXQGHESXWSCKDU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.04
Rot. Bonds7

About 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine

3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 107094620) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID107094620
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
SMILESC=Cn1cc(CNCCCC2CCCC2)cn1
InChIInChI=1S/C14H23N3/c1-2-17-12-14(11-16-17)10-15-9-5-8-13-6-3-4-7-13/h2,11-13,15H,1,3-10H2
InChIKeyBXQGHESXWSCKDU-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 107094848
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 107094675
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
tert-butyl N-cyclopropyl-N-[3-[(1-ethenylpyrazol-4-yl)methylamino]propyl]carbamate
CID 107094696
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
CID 106936940
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine (CID 107094620) is 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine is C=Cn1cc(CNCCCC2CCCC2)cn1.
What is the InChIKey of 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is BXQGHESXWSCKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-17-12-14(11-16-17)10-15-9-5-8-13-6-3-4-7-13/h2,11-13,15H,1,3-10H2.
What are the key properties of 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine?
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107094620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).