1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol

C19H22FN5O — CID 140823874

IUPAC1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1nn(-c2cc(CN)cc(Nc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C19H22FN5O/c1-3-16(26)19-12(2)11-25(24-19)18-9-13(10-21)8-17(23-18)22-15-6-4-14(20)5-7-15/h4-9,11,16,26H,3,10,21H2,1-2H3,(H,22,23)
InChIKeyHVRMHBHMECZMFO-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.36
Rot. Bonds6

About 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol

1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol (PubChem CID 140823874) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol
PubChem CID140823874
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol
SMILESCCC(O)c1nn(-c2cc(CN)cc(Nc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C19H22FN5O/c1-3-16(26)19-12(2)11-25(24-19)18-9-13(10-21)8-17(23-18)22-15-6-4-14(20)5-7-15/h4-9,11,16,26H,3,10,21H2,1-2H3,(H,22,23)
InChIKeyHVRMHBHMECZMFO-UHFFFAOYSA-N
XLogP3.36
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol (CID 140823874) is 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol is CCC(O)c1nn(-c2cc(CN)cc(Nc3ccc(F)cc3)n2)cc1C.
What is the InChIKey of 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol?
The InChIKey is HVRMHBHMECZMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-3-16(26)19-12(2)11-25(24-19)18-9-13(10-21)8-17(23-18)22-15-6-4-14(20)5-7-15/h4-9,11,16,26H,3,10,21H2,1-2H3,(H,22,23).
What are the key properties of 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol?
1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol has a molecular weight of 355.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)-6-(4-fluoroanilino)-2-pyridinyl]-4-methylpyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 140823874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).