1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine

C14H13FN4O — CID 138043112

IUPAC1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine
SMILESCc1cnc(CNc2cnn(-c3ccccc3F)c2)o1
InChIInChI=1S/C14H13FN4O/c1-10-6-17-14(20-10)8-16-11-7-18-19(9-11)13-5-3-2-4-12(13)15/h2-7,9,16H,8H2,1H3
InChIKeyLEASOJAHKAIXCP-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine

1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 138043112) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine
PubChem CID138043112
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine
SMILESCc1cnc(CNc2cnn(-c3ccccc3F)c2)o1
InChIInChI=1S/C14H13FN4O/c1-10-6-17-14(20-10)8-16-11-7-18-19(9-11)13-5-3-2-4-12(13)15/h2-7,9,16H,8H2,1H3
InChIKeyLEASOJAHKAIXCP-UHFFFAOYSA-N
XLogP2.92
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine (CID 138043112) is 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine is Cc1cnc(CNc2cnn(-c3ccccc3F)c2)o1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is LEASOJAHKAIXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-10-6-17-14(20-10)8-16-11-7-18-19(9-11)13-5-3-2-4-12(13)15/h2-7,9,16H,8H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine?
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 272.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 138043112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).