3-hexan-3-yl-1-phenylpyrazole

C15H20N2 — CID 154966414

IUPAC3-hexan-3-yl-1-phenylpyrazole
SMILESCCCC(CC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H20N2/c1-3-8-13(4-2)15-11-12-17(16-15)14-9-6-5-7-10-14/h5-7,9-13H,3-4,8H2,1-2H3
InChIKeyVRCDDYPNBPZJAV-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.17
Rot. Bonds5

About 3-hexan-3-yl-1-phenylpyrazole

3-hexan-3-yl-1-phenylpyrazole (PubChem CID 154966414) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-hexan-3-yl-1-phenylpyrazole.

Molecular Properties

Compound Name3-hexan-3-yl-1-phenylpyrazole
PubChem CID154966414
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-hexan-3-yl-1-phenylpyrazole
SMILESCCCC(CC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H20N2/c1-3-8-13(4-2)15-11-12-17(16-15)14-9-6-5-7-10-14/h5-7,9-13H,3-4,8H2,1-2H3
InChIKeyVRCDDYPNBPZJAV-UHFFFAOYSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124562
N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105170634
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105190345
(1-phenylpyrazol-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 105097959
N-ethyl-1-(1-phenylpyrazol-3-yl)hex-4-yn-1-amine
CID 105181624
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
3-methyl-1-(1-phenylpyrazol-3-yl)hexan-1-one
CID 105091340
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
CID 105108672
5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105120552
(2R)-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 107562752

Frequently Asked Questions

What is the IUPAC name of 3-hexan-3-yl-1-phenylpyrazole?
The IUPAC name of 3-hexan-3-yl-1-phenylpyrazole (CID 154966414) is 3-hexan-3-yl-1-phenylpyrazole.
What is the SMILES notation for 3-hexan-3-yl-1-phenylpyrazole?
The canonical SMILES for 3-hexan-3-yl-1-phenylpyrazole is CCCC(CC)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-hexan-3-yl-1-phenylpyrazole?
The InChIKey is VRCDDYPNBPZJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-8-13(4-2)15-11-12-17(16-15)14-9-6-5-7-10-14/h5-7,9-13H,3-4,8H2,1-2H3.
What are the key properties of 3-hexan-3-yl-1-phenylpyrazole?
3-hexan-3-yl-1-phenylpyrazole has a molecular weight of 228.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-3-yl-1-phenylpyrazole is sourced from PubChem (CID 154966414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).