1-(3-deuteriophenyl)pyrazole

C9H8N2 — CID 59806816

IUPAC1-(3-deuteriophenyl)pyrazole
SMILES[2H]c1cccc(-n2cccn2)c1
InChIInChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H/i2D
InChIKeyWITMXBRCQWOZPX-VMNATFBRSA-N
MW145.18 g/mol
LogP1.87
Rot. Bonds1

About 1-(3-deuteriophenyl)pyrazole

1-(3-deuteriophenyl)pyrazole (PubChem CID 59806816) has the molecular formula C9H8N2 and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(3-deuteriophenyl)pyrazole.

Molecular Properties

Compound Name1-(3-deuteriophenyl)pyrazole
PubChem CID59806816
Molecular FormulaC9H8N2
Molecular Weight145.18 g/mol
Exact Mass145.08
IUPAC Name1-(3-deuteriophenyl)pyrazole
SMILES[2H]c1cccc(-n2cccn2)c1
InChIInChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H/i2D
InChIKeyWITMXBRCQWOZPX-VMNATFBRSA-N
XLogP1.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
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dimethylcarbamodithioic acid;1-phenylpyrazole
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1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
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5-pyrazol-1-ylpyridine-2-carbonitrile
CID 115487796
2-fluoro-5-pyrazol-1-ylpyridine
CID 141212781
1-[4-(2-methyl-3-phenylcyclopropyl)phenyl]pyrazole
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1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-(3-deuteriophenyl)pyrazole?
The IUPAC name of 1-(3-deuteriophenyl)pyrazole (CID 59806816) is 1-(3-deuteriophenyl)pyrazole.
What is the SMILES notation for 1-(3-deuteriophenyl)pyrazole?
The canonical SMILES for 1-(3-deuteriophenyl)pyrazole is [2H]c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-(3-deuteriophenyl)pyrazole?
The InChIKey is WITMXBRCQWOZPX-VMNATFBRSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H/i2D.
What are the key properties of 1-(3-deuteriophenyl)pyrazole?
1-(3-deuteriophenyl)pyrazole has a molecular weight of 145.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-deuteriophenyl)pyrazole is sourced from PubChem (CID 59806816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).