5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

C14H18FN3O — CID 55143447

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2cc(NCC(C)C)n[nH]2)cc1F
InChIInChI=1S/C14H18FN3O/c1-9(2)8-16-14-7-12(17-18-14)10-4-5-13(19-3)11(15)6-10/h4-7,9H,8H2,1-3H3,(H2,16,17,18)
InChIKeyZQTCBSIZQFHSNN-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.29
Rot. Bonds5

About 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine

5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 55143447) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID55143447
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2cc(NCC(C)C)n[nH]2)cc1F
InChIInChI=1S/C14H18FN3O/c1-9(2)8-16-14-7-12(17-18-14)10-4-5-13(19-3)11(15)6-10/h4-7,9H,8H2,1-3H3,(H2,16,17,18)
InChIKeyZQTCBSIZQFHSNN-UHFFFAOYSA-N
XLogP3.29
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine (CID 55143447) is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is COc1ccc(-c2cc(NCC(C)C)n[nH]2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is ZQTCBSIZQFHSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(2)8-16-14-7-12(17-18-14)10-4-5-13(19-3)11(15)6-10/h4-7,9H,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 263.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 55143447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).