N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine

C13H20FN5 — CID 122169153

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1cn(C(C)C)nc1NCc1c(C)nn(C)c1F
InChIInChI=1S/C13H20FN5/c1-8(2)19-7-9(3)13(17-19)15-6-11-10(4)16-18(5)12(11)14/h7-8H,6H2,1-5H3,(H,15,17)
InChIKeyPSLVCYSJWHOMRB-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.57
Rot. Bonds4

About N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine (PubChem CID 122169153) has the molecular formula C13H20FN5 and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine
PubChem CID122169153
Molecular FormulaC13H20FN5
Molecular Weight265.34 g/mol
Exact Mass265.17
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1cn(C(C)C)nc1NCc1c(C)nn(C)c1F
InChIInChI=1S/C13H20FN5/c1-8(2)19-7-9(3)13(17-19)15-6-11-10(4)16-18(5)12(11)14/h7-8H,6H2,1-5H3,(H,15,17)
InChIKeyPSLVCYSJWHOMRB-UHFFFAOYSA-N
XLogP2.57
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine (CID 122169153) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine is Cc1cn(C(C)C)nc1NCc1c(C)nn(C)c1F.
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
The InChIKey is PSLVCYSJWHOMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5/c1-8(2)19-7-9(3)13(17-19)15-6-11-10(4)16-18(5)12(11)14/h7-8H,6H2,1-5H3,(H,15,17).
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine has a molecular weight of 265.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).