(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol

C14H15N3O3 — CID 63372046

IUPAC(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol
SMILESC[C@@H](O)c1ccc(-n2ccc(C3CC3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-9(18)11-4-5-13(14(8-11)17(19)20)16-7-6-12(15-16)10-2-3-10/h4-10,18H,2-3H2,1H3/t9-/m1/s1
InChIKeyGTBONOVIWKDXRC-SECBINFHSA-N
MW273.29 g/mol
LogP2.71
Rot. Bonds4

About (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol

(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol (PubChem CID 63372046) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol
PubChem CID63372046
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol
SMILESC[C@@H](O)c1ccc(-n2ccc(C3CC3)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-9(18)11-4-5-13(14(8-11)17(19)20)16-7-6-12(15-16)10-2-3-10/h4-10,18H,2-3H2,1H3/t9-/m1/s1
InChIKeyGTBONOVIWKDXRC-SECBINFHSA-N
XLogP2.71
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol (CID 63372046) is (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol is C[C@@H](O)c1ccc(-n2ccc(C3CC3)n2)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol?
The InChIKey is GTBONOVIWKDXRC-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(18)11-4-5-13(14(8-11)17(19)20)16-7-6-12(15-16)10-2-3-10/h4-10,18H,2-3H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol?
(1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol has a molecular weight of 273.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-cyclopropylpyrazol-1-yl)-3-nitrophenyl]ethanol is sourced from PubChem (CID 63372046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).