1-cyclopentyl-4-iodopyrazole

C8H11IN2 — CID 56777330

IUPAC1-cyclopentyl-4-iodopyrazole
SMILESIc1cnn(C2CCCC2)c1
InChIInChI=1S/C8H11IN2/c9-7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeySWVDDTMQCDASQR-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.60
Rot. Bonds1

About 1-cyclopentyl-4-iodopyrazole

1-cyclopentyl-4-iodopyrazole (PubChem CID 56777330) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 1-cyclopentyl-4-iodopyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-iodopyrazole
PubChem CID56777330
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name1-cyclopentyl-4-iodopyrazole
SMILESIc1cnn(C2CCCC2)c1
InChIInChI=1S/C8H11IN2/c9-7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeySWVDDTMQCDASQR-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.60
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-cyclopentyl-1H-pyrazole
CID 10844435
4-(4-Iodo-1H-pyrazol-1-yl)piperidine
CID 53256681
1-Methyl-4-iodo-1H-pyrazole
CID 2734773
4-bromo-1-cyclohexyl-1H-pyrazole
CID 57416971
1-Ethyl-4-iodo-1H-pyrazole
CID 20058425
3-(4-iodo-1H-pyrazol-1-yl)cyclopentan-1-one
CID 79642612
4-Iodo-1-(propan-2-yl)-1H-pyrazole
CID 21947268
4-Iodo-1-(2-methylpropyl)-1H-pyrazole
CID 22042626
1-ethenyl-4-iodo-1H-pyrazole
CID 37134541
1-Cyclopropyl-4-iodo-1H-pyrazole
CID 57516618
1-tert-butyl-4-iodo-1H-pyrazole
CID 60136645
1-(cyclopropylmethyl)-4-iodo-1H-pyrazole
CID 64430983

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-iodopyrazole?
The IUPAC name of 1-cyclopentyl-4-iodopyrazole (CID 56777330) is 1-cyclopentyl-4-iodopyrazole.
What is the SMILES notation for 1-cyclopentyl-4-iodopyrazole?
The canonical SMILES for 1-cyclopentyl-4-iodopyrazole is Ic1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-4-iodopyrazole?
The InChIKey is SWVDDTMQCDASQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c9-7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2.
What are the key properties of 1-cyclopentyl-4-iodopyrazole?
1-cyclopentyl-4-iodopyrazole has a molecular weight of 262.09 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-iodopyrazole is sourced from PubChem (CID 56777330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).