4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine

C14H16F3N3O — CID 56857355

IUPAC4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(NCCC(F)(F)F)n[nH]c2C)cc1
InChIInChI=1S/C14H16F3N3O/c1-9-12(10-3-5-11(21-2)6-4-10)13(20-19-9)18-8-7-14(15,16)17/h3-6H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyVYIUKPCAUBWMCV-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.76
Rot. Bonds5

About 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine

4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine (PubChem CID 56857355) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
PubChem CID56857355
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(NCCC(F)(F)F)n[nH]c2C)cc1
InChIInChI=1S/C14H16F3N3O/c1-9-12(10-3-5-11(21-2)6-4-10)13(20-19-9)18-8-7-14(15,16)17/h3-6H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyVYIUKPCAUBWMCV-UHFFFAOYSA-N
XLogP3.76
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine (CID 56857355) is 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine is COc1ccc(-c2c(NCCC(F)(F)F)n[nH]c2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine?
The InChIKey is VYIUKPCAUBWMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9-12(10-3-5-11(21-2)6-4-10)13(20-19-9)18-8-7-14(15,16)17/h3-6H,7-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine?
4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine has a molecular weight of 299.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 56857355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).