1-[(4-ethylphenyl)methyl]pyrazole

C12H14N2 — CID 63811734

IUPAC1-[(4-ethylphenyl)methyl]pyrazole
SMILESCCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H14N2/c1-2-11-4-6-12(7-5-11)10-14-9-3-8-13-14/h3-9H,2,10H2,1H3
InChIKeyGOPPPOUQZQTXRW-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.49
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]pyrazole

1-[(4-ethylphenyl)methyl]pyrazole (PubChem CID 63811734) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]pyrazole
PubChem CID63811734
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[(4-ethylphenyl)methyl]pyrazole
SMILESCCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C12H14N2/c1-2-11-4-6-12(7-5-11)10-14-9-3-8-13-14/h3-9H,2,10H2,1H3
InChIKeyGOPPPOUQZQTXRW-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4-ethylphenyl)methanamine;1-[(4-methylphenyl)methyl]pyrazole
CID 176952887
[4-(pyrazol-1-ylmethyl)phenyl]methanol
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[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
CID 3698707
N-butan-2-yl-4-(pyrazol-1-ylmethyl)aniline
CID 54863485
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
1-cyclopropyl-3-(4-ethylphenyl)-5-[4-(pyrazol-1-ylmethyl)phenyl]-1,2,4-triazole
CID 167834740
N-(1-ethylsulfonylpropan-2-yl)-4-(pyrazol-1-ylmethyl)aniline
CID 104663721
1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
CID 167799715
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24708552
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
N-(3-methylcyclobutyl)-4-(pyrazol-1-ylmethyl)aniline
CID 104861739

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]pyrazole?
The IUPAC name of 1-[(4-ethylphenyl)methyl]pyrazole (CID 63811734) is 1-[(4-ethylphenyl)methyl]pyrazole.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]pyrazole?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]pyrazole is CCc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]pyrazole?
The InChIKey is GOPPPOUQZQTXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-11-4-6-12(7-5-11)10-14-9-3-8-13-14/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]pyrazole?
1-[(4-ethylphenyl)methyl]pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]pyrazole is sourced from PubChem (CID 63811734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).