[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid

C12H13FN4O2 — CID 118020587

IUPAC[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid
SMILESC[C@@H](Cn1cc(-c2ccc(F)cn2)cn1)NC(=O)O
InChIInChI=1S/C12H13FN4O2/c1-8(16-12(18)19)6-17-7-9(4-15-17)11-3-2-10(13)5-14-11/h2-5,7-8,16H,6H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyLSJWMSLGHROMNF-QMMMGPOBSA-N
MW264.26 g/mol
LogP1.74
Rot. Bonds4

About [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid

[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid (PubChem CID 118020587) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid
PubChem CID118020587
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid
SMILESC[C@@H](Cn1cc(-c2ccc(F)cn2)cn1)NC(=O)O
InChIInChI=1S/C12H13FN4O2/c1-8(16-12(18)19)6-17-7-9(4-15-17)11-3-2-10(13)5-14-11/h2-5,7-8,16H,6H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyLSJWMSLGHROMNF-QMMMGPOBSA-N
XLogP1.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid (CID 118020587) is [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid is C[C@@H](Cn1cc(-c2ccc(F)cn2)cn1)NC(=O)O.
What is the InChIKey of [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid?
The InChIKey is LSJWMSLGHROMNF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-8(16-12(18)19)6-17-7-9(4-15-17)11-3-2-10(13)5-14-11/h2-5,7-8,16H,6H2,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid?
[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid has a molecular weight of 264.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 118020587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).