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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Related Compounds

5-(5-amino-1H-pyrazol-4-yl)-2-tert-butyl-4-methoxyphenol
CID 117407750
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117417529
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117455217
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117395726
4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117412553
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174

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).