(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol

C14H17N3O — CID 113355429

IUPAC(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(-n2ccc(C3CC3)n2)cn1
InChIInChI=1S/C14H17N3O/c1-2-14(18)13-6-5-11(9-15-13)17-8-7-12(16-17)10-3-4-10/h5-10,14,18H,2-4H2,1H3/t14-/m0/s1
InChIKeyYXXTVRJIHQFRGQ-AWEZNQCLSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds4

About (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol

(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol (PubChem CID 113355429) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol
PubChem CID113355429
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(-n2ccc(C3CC3)n2)cn1
InChIInChI=1S/C14H17N3O/c1-2-14(18)13-6-5-11(9-15-13)17-8-7-12(16-17)10-3-4-10/h5-10,14,18H,2-4H2,1H3/t14-/m0/s1
InChIKeyYXXTVRJIHQFRGQ-AWEZNQCLSA-N
XLogP2.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol (CID 113355429) is (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(-n2ccc(C3CC3)n2)cn1.
What is the InChIKey of (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is YXXTVRJIHQFRGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-14(18)13-6-5-11(9-15-13)17-8-7-12(16-17)10-3-4-10/h5-10,14,18H,2-4H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113355429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).