bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole

C14H19BrI2N4 — CID 165078918

IUPACbromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole
SMILESBrCC1CC1.Ic1cn[nH]c1.Ic1cnn(CC2CC2)c1
InChIInChI=1S/C7H9IN2.C4H7Br.C3H3IN2/c8-7-3-9-10(5-7)4-6-1-2-6;5-3-4-1-2-4;4-3-1-5-6-2-3/h3,5-6H,1-2,4H2;4H,1-3H2;1-2H,(H,5,6)
InChIKeyUUGHHWUXXPGSOB-UHFFFAOYSA-N
MW577.05 g/mol
LogP4.70
Rot. Bonds3

About bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole

bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole (PubChem CID 165078918) has the molecular formula C14H19BrI2N4 and a molecular weight of 577.05 g/mol. Its IUPAC name is bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole.

Molecular Properties

Compound Namebromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole
PubChem CID165078918
Molecular FormulaC14H19BrI2N4
Molecular Weight577.05 g/mol
Exact Mass575.89
IUPAC Namebromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole
SMILESBrCC1CC1.Ic1cn[nH]c1.Ic1cnn(CC2CC2)c1
InChIInChI=1S/C7H9IN2.C4H7Br.C3H3IN2/c8-7-3-9-10(5-7)4-6-1-2-6;5-3-4-1-2-4;4-3-1-5-6-2-3/h3,5-6H,1-2,4H2;4H,1-3H2;1-2H,(H,5,6)
InChIKeyUUGHHWUXXPGSOB-UHFFFAOYSA-N
XLogP4.70
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.05
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
1-(fluoromethyl)-4-iodopyrazole
CID 170247528
3-[(4-iodopyrazol-1-yl)methyl]pyrrolidine-2,5-dione
CID 118208568
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 155261599
1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
CID 62726510
2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane
CID 154791919
1-(cyclopropylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 53407213
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole
CID 165429536
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
CID 166637809

Frequently Asked Questions

What is the IUPAC name of bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole?
The IUPAC name of bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole (CID 165078918) is bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole.
What is the SMILES notation for bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole?
The canonical SMILES for bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole is BrCC1CC1.Ic1cn[nH]c1.Ic1cnn(CC2CC2)c1.
What is the InChIKey of bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole?
The InChIKey is UUGHHWUXXPGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2.C4H7Br.C3H3IN2/c8-7-3-9-10(5-7)4-6-1-2-6;5-3-4-1-2-4;4-3-1-5-6-2-3/h3,5-6H,1-2,4H2;4H,1-3H2;1-2H,(H,5,6).
What are the key properties of bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole?
bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole has a molecular weight of 577.05 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethylcyclopropane;1-(cyclopropylmethyl)-4-iodopyrazole;4-iodo-1H-pyrazole is sourced from PubChem (CID 165078918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).