N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine

C11H20FN3 — CID 122168916

IUPACN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1cnn(CCF)c1
InChIInChI=1S/C11H20FN3/c1-2-3-4-6-13-8-11-9-14-15(10-11)7-5-12/h9-10,13H,2-8H2,1H3
InChIKeyNUBSDEWWMVSEGM-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.13
Rot. Bonds8

About N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine (PubChem CID 122168916) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine
PubChem CID122168916
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1cnn(CCF)c1
InChIInChI=1S/C11H20FN3/c1-2-3-4-6-13-8-11-9-14-15(10-11)7-5-12/h9-10,13H,2-8H2,1H3
InChIKeyNUBSDEWWMVSEGM-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine (CID 122168916) is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine is CCCCCNCc1cnn(CCF)c1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine?
The InChIKey is NUBSDEWWMVSEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-2-3-4-6-13-8-11-9-14-15(10-11)7-5-12/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine?
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]pentan-1-amine is sourced from PubChem (CID 122168916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).