4-(3-phenylbutyl)-1H-pyrazole

C13H16N2 — CID 138612151

IUPAC4-(3-phenylbutyl)-1H-pyrazole
SMILESCC(CCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C13H16N2/c1-11(13-5-3-2-4-6-13)7-8-12-9-14-15-10-12/h2-6,9-11H,7-8H2,1H3,(H,14,15)
InChIKeyLUWOSJCHCQPCFP-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.15
Rot. Bonds4

About 4-(3-phenylbutyl)-1H-pyrazole

4-(3-phenylbutyl)-1H-pyrazole (PubChem CID 138612151) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-(3-phenylbutyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3-phenylbutyl)-1H-pyrazole
PubChem CID138612151
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-(3-phenylbutyl)-1H-pyrazole
SMILESCC(CCc1cn[nH]c1)c1ccccc1
InChIInChI=1S/C13H16N2/c1-11(13-5-3-2-4-6-13)7-8-12-9-14-15-10-12/h2-6,9-11H,7-8H2,1H3,(H,14,15)
InChIKeyLUWOSJCHCQPCFP-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-(3-phenylbutyl)benzene
CID 57279171
N-(2-phenylpropyl)-1H-pyrazol-4-amine
CID 43539887
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
N-(4-phenylbutan-2-yl)-1H-pyrazol-4-amine
CID 43540049
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine
CID 86806813
6-phenylhexan-2-ylbenzene
CID 19704587
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 42214678

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylbutyl)-1H-pyrazole?
The IUPAC name of 4-(3-phenylbutyl)-1H-pyrazole (CID 138612151) is 4-(3-phenylbutyl)-1H-pyrazole.
What is the SMILES notation for 4-(3-phenylbutyl)-1H-pyrazole?
The canonical SMILES for 4-(3-phenylbutyl)-1H-pyrazole is CC(CCc1cn[nH]c1)c1ccccc1.
What is the InChIKey of 4-(3-phenylbutyl)-1H-pyrazole?
The InChIKey is LUWOSJCHCQPCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11(13-5-3-2-4-6-13)7-8-12-9-14-15-10-12/h2-6,9-11H,7-8H2,1H3,(H,14,15).
What are the key properties of 4-(3-phenylbutyl)-1H-pyrazole?
4-(3-phenylbutyl)-1H-pyrazole has a molecular weight of 200.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylbutyl)-1H-pyrazole is sourced from PubChem (CID 138612151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).