N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine

C15H21FN4 — CID 105390657

IUPACN-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(-n2ccc(C(C)C)n2)c1F
InChIInChI=1S/C15H21FN4/c1-10(2)13-6-8-20(19-13)15-14(16)12(5-7-17-15)9-18-11(3)4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyAPDVZNYLJOSCFD-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.03
Rot. Bonds5

About N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105390657) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105390657
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC NameN-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(-n2ccc(C(C)C)n2)c1F
InChIInChI=1S/C15H21FN4/c1-10(2)13-6-8-20(19-13)15-14(16)12(5-7-17-15)9-18-11(3)4/h5-8,10-11,18H,9H2,1-4H3
InChIKeyAPDVZNYLJOSCFD-UHFFFAOYSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 105390657) is N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(-n2ccc(C(C)C)n2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is APDVZNYLJOSCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-10(2)13-6-8-20(19-13)15-14(16)12(5-7-17-15)9-18-11(3)4/h5-8,10-11,18H,9H2,1-4H3.
What are the key properties of N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105390657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).