4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

C9H14FN3 — CID 105440598

IUPAC4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESCC(C)n1nc(N)c2c1CCC2F
InChIInChI=1S/C9H14FN3/c1-5(2)13-7-4-3-6(10)8(7)9(11)12-13/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyDLMDECBXPDEWOA-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.00
Rot. Bonds1

About 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (PubChem CID 105440598) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
PubChem CID105440598
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESCC(C)n1nc(N)c2c1CCC2F
InChIInChI=1S/C9H14FN3/c1-5(2)13-7-4-3-6(10)8(7)9(11)12-13/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyDLMDECBXPDEWOA-UHFFFAOYSA-N
XLogP2.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The IUPAC name of 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (CID 105440598) is 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is CC(C)n1nc(N)c2c1CCC2F.
What is the InChIKey of 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The InChIKey is DLMDECBXPDEWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-5(2)13-7-4-3-6(10)8(7)9(11)12-13/h5-6H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine has a molecular weight of 183.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 105440598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).