1-[(2R)-pentan-2-yl]-5-phenylpyrazole

C14H18N2 — CID 156528920

IUPAC1-[(2R)-pentan-2-yl]-5-phenylpyrazole
SMILESCCC[C@@H](C)n1nccc1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-3-7-12(2)16-14(10-11-15-16)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3/t12-/m1/s1
InChIKeyVHFQPOQOMJSKBX-GFCCVEGCSA-N
MW214.31 g/mol
LogP3.91
Rot. Bonds4

About 1-[(2R)-pentan-2-yl]-5-phenylpyrazole

1-[(2R)-pentan-2-yl]-5-phenylpyrazole (PubChem CID 156528920) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(2R)-pentan-2-yl]-5-phenylpyrazole.

Molecular Properties

Compound Name1-[(2R)-pentan-2-yl]-5-phenylpyrazole
PubChem CID156528920
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[(2R)-pentan-2-yl]-5-phenylpyrazole
SMILESCCC[C@@H](C)n1nccc1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-3-7-12(2)16-14(10-11-15-16)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3/t12-/m1/s1
InChIKeyVHFQPOQOMJSKBX-GFCCVEGCSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-pentan-2-yl]-5-phenylpyrazole?
The IUPAC name of 1-[(2R)-pentan-2-yl]-5-phenylpyrazole (CID 156528920) is 1-[(2R)-pentan-2-yl]-5-phenylpyrazole.
What is the SMILES notation for 1-[(2R)-pentan-2-yl]-5-phenylpyrazole?
The canonical SMILES for 1-[(2R)-pentan-2-yl]-5-phenylpyrazole is CCC[C@@H](C)n1nccc1-c1ccccc1.
What is the InChIKey of 1-[(2R)-pentan-2-yl]-5-phenylpyrazole?
The InChIKey is VHFQPOQOMJSKBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-7-12(2)16-14(10-11-15-16)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-pentan-2-yl]-5-phenylpyrazole?
1-[(2R)-pentan-2-yl]-5-phenylpyrazole has a molecular weight of 214.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-pentan-2-yl]-5-phenylpyrazole is sourced from PubChem (CID 156528920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).