5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole

C10H15BrN2 — CID 114558242

IUPAC5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
SMILESCCCn1nccc1/C=C(/C)CBr
InChIInChI=1S/C10H15BrN2/c1-3-6-13-10(4-5-12-13)7-9(2)8-11/h4-5,7H,3,6,8H2,1-2H3/b9-7-
InChIKeyPCVQANJYOSYGMW-CLFYSBASSA-N
MW243.15 g/mol
LogP3.09
Rot. Bonds4

About 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole

5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole (PubChem CID 114558242) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole.

Molecular Properties

Compound Name5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
PubChem CID114558242
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
SMILESCCCn1nccc1/C=C(/C)CBr
InChIInChI=1S/C10H15BrN2/c1-3-6-13-10(4-5-12-13)7-9(2)8-11/h4-5,7H,3,6,8H2,1-2H3/b9-7-
InChIKeyPCVQANJYOSYGMW-CLFYSBASSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
CID 114558225
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine
CID 114558063
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
CID 103091534
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 114558286
5-(4-chlorobut-1-enyl)-1-propylpyrazole
CID 79602926
4-(3-bromo-2-methylprop-1-enyl)pyridine
CID 79322993
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
CID 104939504
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
5-(3-bromopropyl)-1-propylpyrazole
CID 64506458

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole?
The IUPAC name of 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole (CID 114558242) is 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole.
What is the SMILES notation for 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole?
The canonical SMILES for 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole is CCCn1nccc1/C=C(/C)CBr.
What is the InChIKey of 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole?
The InChIKey is PCVQANJYOSYGMW-CLFYSBASSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-3-6-13-10(4-5-12-13)7-9(2)8-11/h4-5,7H,3,6,8H2,1-2H3/b9-7-.
What are the key properties of 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole?
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole has a molecular weight of 243.15 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole is sourced from PubChem (CID 114558242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).