1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole

C10H11IN4 — CID 66152919

IUPAC1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole
SMILESIc1cnn(Cc2cncn2C2CC2)c1
InChIInChI=1S/C10H11IN4/c11-8-3-13-14(5-8)6-10-4-12-7-15(10)9-1-2-9/h3-5,7,9H,1-2,6H2
InChIKeySSWFMOILGACRDK-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.07
Rot. Bonds3

About 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole

1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole (PubChem CID 66152919) has the molecular formula C10H11IN4 and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole
PubChem CID66152919
Molecular FormulaC10H11IN4
Molecular Weight314.13 g/mol
Exact Mass314.00
IUPAC Name1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole
SMILESIc1cnn(Cc2cncn2C2CC2)c1
InChIInChI=1S/C10H11IN4/c11-8-3-13-14(5-8)6-10-4-12-7-15(10)9-1-2-9/h3-5,7,9H,1-2,6H2
InChIKeySSWFMOILGACRDK-UHFFFAOYSA-N
XLogP2.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodopyridazin-3-one
CID 114553468
4-bromo-1-[(3-cyclopropylimidazol-4-yl)methyl]-3-nitropyrazole
CID 66155226
1-[(3-cyclopropylimidazol-4-yl)methyl]-2,6-dimethylpiperazine
CID 66155035
2-[(3-cyclopropylimidazol-4-yl)methyl]pyrazol-3-amine
CID 66141004
[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine
CID 106717969
3-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66342265
3-[(3-cyclopropylimidazol-4-yl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341334
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
CID 126900325
2-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]oxyethanol
CID 82691745
(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 115302453
[3-(4-methylcyclohexyl)imidazol-4-yl]methanol
CID 66150398
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718324

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole?
The IUPAC name of 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole (CID 66152919) is 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole?
The canonical SMILES for 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole is Ic1cnn(Cc2cncn2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole?
The InChIKey is SSWFMOILGACRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4/c11-8-3-13-14(5-8)6-10-4-12-7-15(10)9-1-2-9/h3-5,7,9H,1-2,6H2.
What are the key properties of 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole?
1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole has a molecular weight of 314.13 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(4-iodopyrazol-1-yl)methyl]imidazole is sourced from PubChem (CID 66152919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).