1-benzyl-4-iodopyrazole

C10H9IN2 — CID 3794579

IUPAC1-benzyl-4-iodopyrazole
SMILESIc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyPVEYRBGIYMWFPB-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.54
Rot. Bonds2

About 1-benzyl-4-iodopyrazole

1-benzyl-4-iodopyrazole (PubChem CID 3794579) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 1-benzyl-4-iodopyrazole.

Molecular Properties

Compound Name1-benzyl-4-iodopyrazole
PubChem CID3794579
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name1-benzyl-4-iodopyrazole
SMILESIc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyPVEYRBGIYMWFPB-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
4-(1H-pyrazol-1-ylmethyl)benzonitrile
CID 8834695
1-Benzyl-1H-pyrazole
CID 3546441
1-Benzyl-1H-pyrazole-4-carbaldehyde
CID 6484676
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
Fezolamine
CID 54567

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-iodopyrazole?
The IUPAC name of 1-benzyl-4-iodopyrazole (CID 3794579) is 1-benzyl-4-iodopyrazole.
What is the SMILES notation for 1-benzyl-4-iodopyrazole?
The canonical SMILES for 1-benzyl-4-iodopyrazole is Ic1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-4-iodopyrazole?
The InChIKey is PVEYRBGIYMWFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 1-benzyl-4-iodopyrazole?
1-benzyl-4-iodopyrazole has a molecular weight of 284.10 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-iodopyrazole is sourced from PubChem (CID 3794579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).