5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine

C16H20FN3O — CID 170070428

IUPAC5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine
SMILESCc1cc(F)c(-c2cc(N)n[nH]2)c(O[C@@H]2CC[C@@H](C)C2)c1
InChIInChI=1S/C16H20FN3O/c1-9-3-4-11(5-9)21-14-7-10(2)6-12(17)16(14)13-8-15(18)20-19-13/h6-9,11H,3-5H2,1-2H3,(H3,18,19,20)/t9-,11-/m1/s1
InChIKeyCYCMMUWRLSUJBX-MWLCHTKSSA-N
MW289.35 g/mol
LogP3.67
Rot. Bonds3

About 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine

5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine (PubChem CID 170070428) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine
PubChem CID170070428
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine
SMILESCc1cc(F)c(-c2cc(N)n[nH]2)c(O[C@@H]2CC[C@@H](C)C2)c1
InChIInChI=1S/C16H20FN3O/c1-9-3-4-11(5-9)21-14-7-10(2)6-12(17)16(14)13-8-15(18)20-19-13/h6-9,11H,3-5H2,1-2H3,(H3,18,19,20)/t9-,11-/m1/s1
InChIKeyCYCMMUWRLSUJBX-MWLCHTKSSA-N
XLogP3.67
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine (CID 170070428) is 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine is Cc1cc(F)c(-c2cc(N)n[nH]2)c(O[C@@H]2CC[C@@H](C)C2)c1.
What is the InChIKey of 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine?
The InChIKey is CYCMMUWRLSUJBX-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-9-3-4-11(5-9)21-14-7-10(2)6-12(17)16(14)13-8-15(18)20-19-13/h6-9,11H,3-5H2,1-2H3,(H3,18,19,20)/t9-,11-/m1/s1.
What are the key properties of 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine?
5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine has a molecular weight of 289.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-methyl-6-[(1R,3R)-3-methylcyclopentyl]oxyphenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 170070428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).