(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine

C13H17FN4 — CID 105102122

IUPAC(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCCc1cc(C(N)c2cncc(F)c2)n(CC)n1
InChIInChI=1S/C13H17FN4/c1-3-11-6-12(18(4-2)17-11)13(15)9-5-10(14)8-16-7-9/h5-8,13H,3-4,15H2,1-2H3
InChIKeyCCCGPQSHBCPMMF-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.05
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine

(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 105102122) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine
PubChem CID105102122
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCCc1cc(C(N)c2cncc(F)c2)n(CC)n1
InChIInChI=1S/C13H17FN4/c1-3-11-6-12(18(4-2)17-11)13(15)9-5-10(14)8-16-7-9/h5-8,13H,3-4,15H2,1-2H3
InChIKeyCCCGPQSHBCPMMF-UHFFFAOYSA-N
XLogP2.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105140273
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
CID 105175242
[(1,3-diethylpyrazol-5-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284076
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397297
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653075
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
3-(1-chloropropyl)-5-fluoropyridine
CID 130480294
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105184781

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine (CID 105102122) is (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine is CCc1cc(C(N)c2cncc(F)c2)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is CCCGPQSHBCPMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-3-11-6-12(18(4-2)17-11)13(15)9-5-10(14)8-16-7-9/h5-8,13H,3-4,15H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine?
(1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 248.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 105102122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).