1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine

C19H22FN5O — CID 167905175

IUPAC1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C19H22FN5O/c1-24-18(8-9-22-24)19-14(5-4-10-26-19)11-21-15-12-23-25(13-15)17-7-3-2-6-16(17)20/h2-3,6-9,12-14,19,21H,4-5,10-11H2,1H3/t14-,19+/m0/s1
InChIKeyKISPQXAKOHQQLW-IFXJQAMLSA-N
MW355.42 g/mol
LogP3.32
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine

1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine (PubChem CID 167905175) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine
PubChem CID167905175
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C19H22FN5O/c1-24-18(8-9-22-24)19-14(5-4-10-26-19)11-21-15-12-23-25(13-15)17-7-3-2-6-16(17)20/h2-3,6-9,12-14,19,21H,4-5,10-11H2,1H3/t14-,19+/m0/s1
InChIKeyKISPQXAKOHQQLW-IFXJQAMLSA-N
XLogP3.32
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine (CID 167905175) is 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine is Cn1nccc1[C@@H]1OCCC[C@H]1CNc1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine?
The InChIKey is KISPQXAKOHQQLW-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-24-18(8-9-22-24)19-14(5-4-10-26-19)11-21-15-12-23-25(13-15)17-7-3-2-6-16(17)20/h2-3,6-9,12-14,19,21H,4-5,10-11H2,1H3/t14-,19+/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine?
1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine has a molecular weight of 355.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 167905175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).