N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

C13H17FN4 — CID 105108938

IUPACN-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)c1cnn(CC)c1
InChIInChI=1S/C13H17FN4/c1-3-16-13(10-5-12(14)8-15-6-10)11-7-17-18(4-2)9-11/h5-9,13,16H,3-4H2,1-2H3
InChIKeyNAYJKCGENKVQFI-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.14
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine

N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (PubChem CID 105108938) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
PubChem CID105108938
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(F)c1)c1cnn(CC)c1
InChIInChI=1S/C13H17FN4/c1-3-16-13(10-5-12(14)8-15-6-10)11-7-17-18(4-2)9-11/h5-9,13,16H,3-4H2,1-2H3
InChIKeyNAYJKCGENKVQFI-UHFFFAOYSA-N
XLogP2.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
CID 115815706
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
CID 62717263
N-[(3-chlorophenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 54967436
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105109386
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(2-bromo-5-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815855
N-[(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 114887322

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine (CID 105108938) is N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(F)c1)c1cnn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
The InChIKey is NAYJKCGENKVQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-3-16-13(10-5-12(14)8-15-6-10)11-7-17-18(4-2)9-11/h5-9,13,16H,3-4H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine has a molecular weight of 248.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105108938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).