4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

C10H16FN3 — CID 105450773

IUPAC4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC(C)n1nc(N)c2c1CCC2(C)F
InChIInChI=1S/C10H16FN3/c1-6(2)14-7-4-5-10(3,11)8(7)9(12)13-14/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyNVVUDHFCYLDPFL-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.18
Rot. Bonds1

About 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (PubChem CID 105450773) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
PubChem CID105450773
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCC(C)n1nc(N)c2c1CCC2(C)F
InChIInChI=1S/C10H16FN3/c1-6(2)14-7-4-5-10(3,11)8(7)9(12)13-14/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyNVVUDHFCYLDPFL-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The IUPAC name of 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (CID 105450773) is 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is CC(C)n1nc(N)c2c1CCC2(C)F.
What is the InChIKey of 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The InChIKey is NVVUDHFCYLDPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-6(2)14-7-4-5-10(3,11)8(7)9(12)13-14/h6H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine has a molecular weight of 197.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 105450773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).