N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine

C15H21FN4 — CID 79713275

IUPACN-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cc(C(NC(C)C)c2ccc(F)cn2)cn1
InChIInChI=1S/C15H21FN4/c1-4-7-20-10-12(8-18-20)15(19-11(2)3)14-6-5-13(16)9-17-14/h5-6,8-11,15,19H,4,7H2,1-3H3
InChIKeyITCFYIZCLGDJHV-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.91
Rot. Bonds6

About N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine

N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 79713275) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID79713275
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC NameN-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCn1cc(C(NC(C)C)c2ccc(F)cn2)cn1
InChIInChI=1S/C15H21FN4/c1-4-7-20-10-12(8-18-20)15(19-11(2)3)14-6-5-13(16)9-17-14/h5-6,8-11,15,19H,4,7H2,1-3H3
InChIKeyITCFYIZCLGDJHV-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-ethylpyrazol-4-yl)-(5-fluoro-2-pyridinyl)methyl]hydrazine
CID 105248339
N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-2-amine
CID 79712979
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 79713609
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methyl]propan-2-amine
CID 114657906
N-[(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-2-amine
CID 114657907
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
CID 103572508
N-[(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808137
N-[1-(5-fluoro-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-2-amine
CID 79751590
1-(4-bromo-3-fluorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807266
1-(5-fluoro-2-pyridinyl)-N-propan-2-yldecan-1-amine
CID 79706841
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 83117285
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine (CID 79713275) is N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine is CCCn1cc(C(NC(C)C)c2ccc(F)cn2)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is ITCFYIZCLGDJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-4-7-20-10-12(8-18-20)15(19-11(2)3)14-6-5-13(16)9-17-14/h5-6,8-11,15,19H,4,7H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine?
N-[(5-fluoro-2-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.91, 6 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)-(1-propylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 79713275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).