N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine

C14H18FN3 — CID 19618954

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCn1ncc(CNCc2ccc(F)cc2)c1C
InChIInChI=1S/C14H18FN3/c1-3-18-11(2)13(10-17-18)9-16-8-12-4-6-14(15)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyZDHVLUOEVKWEKL-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.64
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 19618954) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID19618954
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCn1ncc(CNCc2ccc(F)cc2)c1C
InChIInChI=1S/C14H18FN3/c1-3-18-11(2)13(10-17-18)9-16-8-12-4-6-14(15)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyZDHVLUOEVKWEKL-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine (CID 19618954) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is CCn1ncc(CNCc2ccc(F)cc2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is ZDHVLUOEVKWEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-18-11(2)13(10-17-18)9-16-8-12-4-6-14(15)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 19618954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).