4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine

C14H18FN3O2 — CID 117447752

IUPAC4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1-c1cn[nH]c1N
InChIInChI=1S/C14H18FN3O2/c1-14(2,15)10-6-11(19-3)8(5-12(10)20-4)9-7-17-18-13(9)16/h5-7H,1-4H3,(H3,16,17,18)
InChIKeySKHPHWFJQWYYQH-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.88
Rot. Bonds4

About 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine

4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117447752) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
PubChem CID117447752
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)(C)F)c(OC)cc1-c1cn[nH]c1N
InChIInChI=1S/C14H18FN3O2/c1-14(2,15)10-6-11(19-3)8(5-12(10)20-4)9-7-17-18-13(9)16/h5-7H,1-4H3,(H3,16,17,18)
InChIKeySKHPHWFJQWYYQH-UHFFFAOYSA-N
XLogP2.88
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine (CID 117447752) is 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine is COc1cc(C(C)(C)F)c(OC)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is SKHPHWFJQWYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-14(2,15)10-6-11(19-3)8(5-12(10)20-4)9-7-17-18-13(9)16/h5-7H,1-4H3,(H3,16,17,18).
What are the key properties of 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine?
4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 279.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117447752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).