N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

C13H17FN4 — CID 79713103

IUPACN-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1ccnn1C
InChIInChI=1S/C13H17FN4/c1-3-7-15-13(12-6-8-17-18(12)2)11-5-4-10(14)9-16-11/h4-6,8-9,13,15H,3,7H2,1-2H3
InChIKeyMHBRGAXZDAZADL-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.04
Rot. Bonds5

About N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 79713103) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID79713103
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC NameN-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)c1ccnn1C
InChIInChI=1S/C13H17FN4/c1-3-7-15-13(12-6-8-17-18(12)2)11-5-4-10(14)9-16-11/h4-6,8-9,13,15H,3,7H2,1-2H3
InChIKeyMHBRGAXZDAZADL-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63961802
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466
N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 115858376
N-[(6-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858572
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(2-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858738
N-[(2-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858593
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087
N-[(2,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713772
N-[(3,5-dichloro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79781062
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 79713103) is N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cn1)c1ccnn1C.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is MHBRGAXZDAZADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-3-7-15-13(12-6-8-17-18(12)2)11-5-4-10(14)9-16-11/h4-6,8-9,13,15H,3,7H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 248.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79713103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).