N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine

C11H19N3 — CID 67647527

IUPACN-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine
SMILESC=CCc1cn[nH]c1NCCCCC
InChIInChI=1S/C11H19N3/c1-3-5-6-8-12-11-10(7-4-2)9-13-14-11/h4,9H,2-3,5-8H2,1H3,(H2,12,13,14)
InChIKeyGBLPMIBTHPECDF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.74
Rot. Bonds7

About N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine

N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine (PubChem CID 67647527) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine
PubChem CID67647527
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine
SMILESC=CCc1cn[nH]c1NCCCCC
InChIInChI=1S/C11H19N3/c1-3-5-6-8-12-11-10(7-4-2)9-13-14-11/h4,9H,2-3,5-8H2,1H3,(H2,12,13,14)
InChIKeyGBLPMIBTHPECDF-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine?
The IUPAC name of N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine (CID 67647527) is N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine.
What is the SMILES notation for N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine?
The canonical SMILES for N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine is C=CCc1cn[nH]c1NCCCCC.
What is the InChIKey of N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine?
The InChIKey is GBLPMIBTHPECDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-6-8-12-11-10(7-4-2)9-13-14-11/h4,9H,2-3,5-8H2,1H3,(H2,12,13,14).
What are the key properties of N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine?
N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine has a molecular weight of 193.29 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine is sourced from PubChem (CID 67647527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).