1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole

C14H15IN2 — CID 79787419

IUPAC1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole
SMILESIc1ccccc1-c1cnn(CCC2CC2)c1
InChIInChI=1S/C14H15IN2/c15-14-4-2-1-3-13(14)12-9-16-17(10-12)8-7-11-5-6-11/h1-4,9-11H,5-8H2
InChIKeyDFDVDUBECYOLGI-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.95
Rot. Bonds4

About 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole

1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole (PubChem CID 79787419) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole
PubChem CID79787419
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole
SMILESIc1ccccc1-c1cnn(CCC2CC2)c1
InChIInChI=1S/C14H15IN2/c15-14-4-2-1-3-13(14)12-9-16-17(10-12)8-7-11-5-6-11/h1-4,9-11H,5-8H2
InChIKeyDFDVDUBECYOLGI-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.95
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

4-(2-iodophenyl)-1-(oxan-4-ylmethyl)pyrazole
CID 79787929
4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 55113250
3-[[4-(2-iodophenyl)pyrazol-1-yl]methyl]-1-propan-2-ylpyrazole
CID 79784145
1-[2-(oxolan-2-yl)ethyl]-4-phenylpyrazole
CID 119034768
1-[(3-bromo-5-fluorophenyl)methyl]-4-(2-iodophenyl)pyrazole
CID 79784159
N-tert-butyl-2-[1-(cyclopropylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 72904281
3-[4-(2-iodophenyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 79787504
1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole
CID 84794344
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164608301
2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine
CID 137388705
N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine
CID 62769581

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole?
The IUPAC name of 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole (CID 79787419) is 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole is Ic1ccccc1-c1cnn(CCC2CC2)c1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole?
The InChIKey is DFDVDUBECYOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c15-14-4-2-1-3-13(14)12-9-16-17(10-12)8-7-11-5-6-11/h1-4,9-11H,5-8H2.
What are the key properties of 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole?
1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole has a molecular weight of 338.19 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-(2-iodophenyl)pyrazole is sourced from PubChem (CID 79787419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).