4-(3-fluorophenyl)-1-methylpyrazol-5-amine

C10H10FN3 — CID 61393300

IUPAC4-(3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(F)c2)c1N
InChIInChI=1S/C10H10FN3/c1-14-10(12)9(6-13-14)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3
InChIKeyDIOXRQKAQSSLCF-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.81
Rot. Bonds1

About 4-(3-fluorophenyl)-1-methylpyrazol-5-amine

4-(3-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 61393300) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID61393300
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name4-(3-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc(F)c2)c1N
InChIInChI=1S/C10H10FN3/c1-14-10(12)9(6-13-14)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3
InChIKeyDIOXRQKAQSSLCF-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-fluorophenyl)-1-methylpyrazol-5-amine (CID 61393300) is 4-(3-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-fluorophenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc(F)c2)c1N.
What is the InChIKey of 4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is DIOXRQKAQSSLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-14-10(12)9(6-13-14)7-3-2-4-8(11)5-7/h2-6H,12H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-1-methylpyrazol-5-amine?
4-(3-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 191.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 61393300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).