1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine

C12H21FN4 — CID 66769884

IUPAC1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)Nc1c(N)c(F)nn1C1CCCCC1
InChIInChI=1S/C12H21FN4/c1-8(2)15-12-10(14)11(13)16-17(12)9-6-4-3-5-7-9/h8-9,15H,3-7,14H2,1-2H3
InChIKeyHLVXVTVDWQFCRA-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.93
Rot. Bonds3

About 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine

1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66769884) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine
PubChem CID66769884
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)Nc1c(N)c(F)nn1C1CCCCC1
InChIInChI=1S/C12H21FN4/c1-8(2)15-12-10(14)11(13)16-17(12)9-6-4-3-5-7-9/h8-9,15H,3-7,14H2,1-2H3
InChIKeyHLVXVTVDWQFCRA-UHFFFAOYSA-N
XLogP2.93
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine (CID 66769884) is 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine is CC(C)Nc1c(N)c(F)nn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is HLVXVTVDWQFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-8(2)15-12-10(14)11(13)16-17(12)9-6-4-3-5-7-9/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine?
1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 240.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-fluoro-5-N-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66769884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).