N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine

C15H20FN3 — CID 55181521

IUPACN-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2ccccc2F)cn1
InChIInChI=1S/C15H20FN3/c1-3-9-19-11-12(10-18-19)15(17-4-2)13-7-5-6-8-14(13)16/h5-8,10-11,15,17H,3-4,9H2,1-2H3
InChIKeyRHKTZNPGDAQARU-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.13
Rot. Bonds6

About N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine

N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 55181521) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID55181521
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1cc(C(NCC)c2ccccc2F)cn1
InChIInChI=1S/C15H20FN3/c1-3-9-19-11-12(10-18-19)15(17-4-2)13-7-5-6-8-14(13)16/h5-8,10-11,15,17H,3-4,9H2,1-2H3
InChIKeyRHKTZNPGDAQARU-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 114894914
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66053102
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
[[2-(difluoromethoxy)phenyl]-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288469
N-[(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808190
1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
N-[(3-methylimidazol-4-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 82903321
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine (CID 55181521) is N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1cc(C(NCC)c2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is RHKTZNPGDAQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-9-19-11-12(10-18-19)15(17-4-2)13-7-5-6-8-14(13)16/h5-8,10-11,15,17H,3-4,9H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine?
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 55181521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).